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

C19H30N2 — CID 81350353

IUPACN-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H30N2/c1-14(2)21-12-17-10-7-11-18(13-21)19(17)20-15(3)16-8-5-4-6-9-16/h4-6,8-9,14-15,17-20H,7,10-13H2,1-3H3/t15-,17?,18?,19?/m0/s1
InChIKeyVDKYSJXBKITQDN-XAJACXMCSA-N
MW286.46 g/mol
LogP3.85
Rot. Bonds4

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

N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 81350353) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID81350353
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H30N2/c1-14(2)21-12-17-10-7-11-18(13-21)19(17)20-15(3)16-8-5-4-6-9-16/h4-6,8-9,14-15,17-20H,7,10-13H2,1-3H3/t15-,17?,18?,19?/m0/s1
InChIKeyVDKYSJXBKITQDN-XAJACXMCSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine
CID 81393237
N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 79090823
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanoic acid
CID 54960108
N-(2-methylsulfanylphenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61241578
N-[(1S)-1-phenylethyl]adamantan-2-amine
CID 81350698
N-(1-phenylethyl)adamantan-2-amine
CID 43405877
3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 81350676
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 15072780
N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 81394236
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine
CID 115559024
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine
CID 113335651

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 81350353) is N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2N[C@@H](C)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is VDKYSJXBKITQDN-XAJACXMCSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)21-12-17-10-7-11-18(13-21)19(17)20-15(3)16-8-5-4-6-9-16/h4-6,8-9,14-15,17-20H,7,10-13H2,1-3H3/t15-,17?,18?,19?/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 286.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 81350353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).