N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

C17H33N3 — CID 106024089

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCC1CCCN1C
InChIInChI=1S/C17H33N3/c1-13(2)20-11-14-6-4-7-15(12-20)17(14)18-10-16-8-5-9-19(16)3/h13-18H,4-12H2,1-3H3
InChIKeySYAYWRVGKRIHLH-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.18
Rot. Bonds4

About N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 106024089) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID106024089
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCC1CCCN1C
InChIInChI=1S/C17H33N3/c1-13(2)20-11-14-6-4-7-15(12-20)17(14)18-10-16-8-5-9-19(16)3/h13-18H,4-12H2,1-3H3
InChIKeySYAYWRVGKRIHLH-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine with MolForge

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Related Compounds

N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 107417173
3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240803
N-[(3-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 107411846
3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol
CID 106123834
5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol
CID 107316719
N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61241579
1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one
CID 106252950
N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61241963
4-[(1-methylpyrrolidin-2-yl)methylamino]cyclohexan-1-ol
CID 58858777
N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 64600843
2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
CID 106275148
N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
CID 61240808

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 106024089) is N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2NCC1CCCN1C.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is SYAYWRVGKRIHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-13(2)20-11-14-6-4-7-15(12-20)17(14)18-10-16-8-5-9-19(16)3/h13-18H,4-12H2,1-3H3.
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 279.47 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 106024089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).