1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine

C17H33N3 — CID 115727495

IUPAC1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine
SMILESCC1CC(NC2CCN(C(C)(C)C)CC2)CN1C1CC1
InChIInChI=1S/C17H33N3/c1-13-11-15(12-20(13)16-5-6-16)18-14-7-9-19(10-8-14)17(2,3)4/h13-16,18H,5-12H2,1-4H3
InChIKeyRHGJAKPKSRKPDD-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.46
Rot. Bonds3

About 1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine

1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine (PubChem CID 115727495) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine
PubChem CID115727495
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine
SMILESCC1CC(NC2CCN(C(C)(C)C)CC2)CN1C1CC1
InChIInChI=1S/C17H33N3/c1-13-11-15(12-20(13)16-5-6-16)18-14-7-9-19(10-8-14)17(2,3)4/h13-16,18H,5-12H2,1-4H3
InChIKeyRHGJAKPKSRKPDD-UHFFFAOYSA-N
XLogP2.46
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685080
1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine
CID 115722700
1-tert-butyl-N-cyclooctylpiperidin-4-amine
CID 54866557
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine
CID 115707651
1-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-5-methylpyrrolidin-3-amine
CID 115719166
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-dimethylpiperidin-4-amine
CID 115717633
4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine
CID 176629966
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methylpropanamide
CID 119900290
N-butan-2-yl-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115705721
1-tert-butyl-N-(2-methylcyclopentyl)piperidin-4-amine
CID 65045786
1-tert-butyl-N-spiro[4.5]decan-8-ylpiperidin-4-amine
CID 114817492
1-cyclopropyl-5-methyl-N-propylpyrrolidin-3-amine
CID 115704306

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine (CID 115727495) is 1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine is CC1CC(NC2CCN(C(C)(C)C)CC2)CN1C1CC1.
What is the InChIKey of 1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine?
The InChIKey is RHGJAKPKSRKPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-13-11-15(12-20(13)16-5-6-16)18-14-7-9-19(10-8-14)17(2,3)4/h13-16,18H,5-12H2,1-4H3.
What are the key properties of 1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine?
1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine has a molecular weight of 279.47 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine is sourced from PubChem (CID 115727495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).