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

C18H35N3 — CID 61240803

IUPAC3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCCCN1CCCC1
InChIInChI=1S/C18H35N3/c1-15(2)21-13-16-7-5-8-17(14-21)18(16)19-9-6-12-20-10-3-4-11-20/h15-19H,3-14H2,1-2H3
InChIKeyBGKNEXWDDIKPKT-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.57
Rot. Bonds6

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

3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 61240803) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID61240803
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCCCN1CCCC1
InChIInChI=1S/C18H35N3/c1-15(2)21-13-16-7-5-8-17(14-21)18(16)19-9-6-12-20-10-3-4-11-20/h15-19H,3-14H2,1-2H3
InChIKeyBGKNEXWDDIKPKT-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol
CID 107316719
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 43181783
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106024089
N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide
CID 106334433
N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
CID 61240808
N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 107417173
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 63332819
N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61241963
N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240419
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
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106394773

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of 3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine (CID 61240803) is 3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for 3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for 3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2NCCCN1CCCC1.
What is the InChIKey of 3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is BGKNEXWDDIKPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-15(2)21-13-16-7-5-8-17(14-21)18(16)19-9-6-12-20-10-3-4-11-20/h15-19H,3-14H2,1-2H3.
What are the key properties of 3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine?
3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 293.50 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 61240803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).