8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine

C18H28N2 — CID 61231194

IUPAC8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)CC(c1ccccc1)N1C2CCC1CC(N)C2
InChIInChI=1S/C18H28N2/c1-13(2)10-18(14-6-4-3-5-7-14)20-16-8-9-17(20)12-15(19)11-16/h3-7,13,15-18H,8-12,19H2,1-2H3
InChIKeyILSFXDLIVUWCKF-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.73
Rot. Bonds4

About 8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231194) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231194
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)CC(c1ccccc1)N1C2CCC1CC(N)C2
InChIInChI=1S/C18H28N2/c1-13(2)10-18(14-6-4-3-5-7-14)20-16-8-9-17(20)12-15(19)11-16/h3-7,13,15-18H,8-12,19H2,1-2H3
InChIKeyILSFXDLIVUWCKF-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-phenylpropanenitrile
CID 55117774
8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63194011
9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105792
9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 63011813
8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 23381484
2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol
CID 61231577
8-[1-(furan-2-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62632203
[(1R,3S,4S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 25324057
[(1S,3S,4R)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 102488734
1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702
4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine
CID 62313676

Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61231194) is 8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine is CC(C)CC(c1ccccc1)N1C2CCC1CC(N)C2.
What is the InChIKey of 8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ILSFXDLIVUWCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13(2)10-18(14-6-4-3-5-7-14)20-16-8-9-17(20)12-15(19)11-16/h3-7,13,15-18H,8-12,19H2,1-2H3.
What are the key properties of 8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).