N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine

C49H98N6 — CID 163821591

IUPACN,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine
SMILESCC(C)N(C)C.CC(C)N1C2CCCC1C2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCC1
InChIInChI=1S/2C10H19N.2C9H17N.C6H13N.C5H13N/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-8-4-3-5-9(10)6-8;1-6(2)7-4-3-5-7;1-5(2)6(3)4/h2*8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;6H,3-5H2,1-2H3;5H,1-4H3
InChIKeyNVXAENSEPHAPML-UHFFFAOYSA-N
MW771.36 g/mol
LogP10.35
Rot. Bonds6

About N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine

N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine (PubChem CID 163821591) has the molecular formula C49H98N6 and a molecular weight of 771.36 g/mol. Its IUPAC name is N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine.

Molecular Properties

Compound NameN,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine
PubChem CID163821591
Molecular FormulaC49H98N6
Molecular Weight771.36 g/mol
Exact Mass770.79
IUPAC NameN,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine
SMILESCC(C)N(C)C.CC(C)N1C2CCCC1C2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCC1
InChIInChI=1S/2C10H19N.2C9H17N.C6H13N.C5H13N/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-8-4-3-5-9(10)6-8;1-6(2)7-4-3-5-7;1-5(2)6(3)4/h2*8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;6H,3-5H2,1-2H3;5H,1-4H3
InChIKeyNVXAENSEPHAPML-UHFFFAOYSA-N
XLogP10.35
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.36
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine?
The IUPAC name of N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine (CID 163821591) is N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine.
What is the SMILES notation for N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine?
The canonical SMILES for N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine is CC(C)N(C)C.CC(C)N1C2CCCC1C2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCC1.
What is the InChIKey of N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine?
The InChIKey is NVXAENSEPHAPML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N.2C9H17N.C6H13N.C5H13N/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-8-4-3-5-9(10)6-8;1-6(2)7-4-3-5-7;1-5(2)6(3)4/h2*8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;6H,3-5H2,1-2H3;5H,1-4H3.
What are the key properties of N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine?
N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine has a molecular weight of 771.36 g/mol, XLogP of 10.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine is sourced from PubChem (CID 163821591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).