tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane

C62H132N18O4 — CID 159463146

About tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane

tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 159463146) has the molecular formula C62H132N18O4 and a molecular weight of 1193.86 g/mol. Its IUPAC name is tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane
• PubChem CID: 159463146
• Molecular Formula: C62H132N18O4
• Molecular Weight: 1193.86 g/mol
• Exact Mass: 1193.07
• IUPAC Name: tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane
• SMILES: C1O[C@@H]2CN[C@H]1C2.C1O[C@H]2CN[C@@H]1C2.CC(C)(C)OC(=O)NC1CNC1.CC1CNC1.CC1CNC1.CN(C)C1CCNCC1.CN(C)[C@@H]1CCNC1.CN(C)[C@H]1CCNC1.CN1CCNCC1.CN1C[C@@H]2C[C@H]1CN2.CN1C[C@H]2C[C@@H]1CN2
• InChI: InChI=1S/C8H16N2O2.C7H16N2.2C6H12N2.2C6H14N2.C5H12N2.2C5H9NO.2C4H9N/c1-8(2,3)12-7(11)10-6-4-9-5-6;1-9(2)7-3-5-8-6-4-7;2*1-8-4-5-2-6(8)3-7-5;2*1-8(2)6-3-4-7-5-6;1-7-4-2-6-3-5-7;2*1-4-3-7-5(1)2-6-4;2*1-4-2-5-3-4/h6,9H,4-5H2,1-3H3,(H,10,11);7-8H,3-6H2,1-2H3;2*5-7H,2-4H2,1H3;2*6-7H,3-5H2,1-2H3;6H,2-5H2,1H3;2*4-6H,1-3H2;2*4-5H,2-3H2,1H3/t;;2*5-,6-;2*6-;;2*4-,5-;;/m..1010.10../s1
• InChIKey: LUVNFLVENLRTJH-WQVIJOTESA-N
• XLogP: -0.61
• TPSA: 208.56 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 4
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1193.86
LogP ≤ 5	-0.61
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane?

The IUPAC name of tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 159463146) is tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane.

What is the SMILES notation for tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane?

The canonical SMILES for tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane is C1O[C@@H]2CN[C@H]1C2.C1O[C@H]2CN[C@@H]1C2.CC(C)(C)OC(=O)NC1CNC1.CC1CNC1.CC1CNC1.CN(C)C1CCNCC1.CN(C)[C@@H]1CCNC1.CN(C)[C@H]1CCNC1.CN1CCNCC1.CN1C[C@@H]2C[C@H]1CN2.CN1C[C@H]2C[C@@H]1CN2.

What is the InChIKey of tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane?

The InChIKey is LUVNFLVENLRTJH-WQVIJOTESA-N. The full InChI is InChI=1S/C8H16N2O2.C7H16N2.2C6H12N2.2C6H14N2.C5H12N2.2C5H9NO.2C4H9N/c1-8(2,3)12-7(11)10-6-4-9-5-6;1-9(2)7-3-5-8-6-4-7;2*1-8-4-5-2-6(8)3-7-5;2*1-8(2)6-3-4-7-5-6;1-7-4-2-6-3-5-7;2*1-4-3-7-5(1)2-6-4;2*1-4-2-5-3-4/h6,9H,4-5H2,1-3H3,(H,10,11);7-8H,3-6H2,1-2H3;2*5-7H,2-4H2,1H3;2*6-7H,3-5H2,1-2H3;6H,2-5H2,1H3;2*4-6H,1-3H2;2*4-5H,2-3H2,1H3/t;;2*5-,6-;2*6-;;2*4-,5-;;/m..1010.10../s1.

What are the key properties of tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane?

tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 1193.86 g/mol, XLogP of -0.61, 4 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(azetidin-3-yl)carbamate;N,N-dimethylpiperidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;(3S)-N,N-dimethylpyrrolidin-3-amine;bis(3-methylazetidine);(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methylpiperazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 159463146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).