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

C18H34N2 — CID 81394236

IUPACN-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2N[C@H](C)C1CCCC1
InChIInChI=1S/C18H34N2/c1-13(2)20-11-16-9-6-10-17(12-20)18(16)19-14(3)15-7-4-5-8-15/h13-19H,4-12H2,1-3H3/t14-,16?,17?,18?/m1/s1
InChIKeyXLLNVLCOIKJILU-UWIAJVCOSA-N
MW278.48 g/mol
LogP3.66
Rot. Bonds4

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

N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 81394236) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID81394236
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2N[C@H](C)C1CCCC1
InChIInChI=1S/C18H34N2/c1-13(2)20-11-16-9-6-10-17(12-20)18(16)19-14(3)15-7-4-5-8-15/h13-19H,4-12H2,1-3H3/t14-,16?,17?,18?/m1/s1
InChIKeyXLLNVLCOIKJILU-UWIAJVCOSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanoic acid
CID 54960108
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
N-(1-cyclobutylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115717125
N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 64600843
N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 81350353
N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 64740285
(1R,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98053872
N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61241963
N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 79090823
N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 107417173
N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 63924083
N-(3,5-dimethylphenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 63422604

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 81394236) is N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2N[C@H](C)C1CCCC1.
What is the InChIKey of N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is XLLNVLCOIKJILU-UWIAJVCOSA-N. The full InChI is InChI=1S/C18H34N2/c1-13(2)20-11-16-9-6-10-17(12-20)18(16)19-14(3)15-7-4-5-8-15/h13-19H,4-12H2,1-3H3/t14-,16?,17?,18?/m1/s1.
What are the key properties of N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 278.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 81394236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).