2-cycloheptyl-N-methyl-2-phenylbutan-1-amine

C18H29N — CID 82933987

IUPAC2-cycloheptyl-N-methyl-2-phenylbutan-1-amine
SMILESCCC(CNC)(c1ccccc1)C1CCCCCC1
InChIInChI=1S/C18H29N/c1-3-18(15-19-2,17-13-9-6-10-14-17)16-11-7-4-5-8-12-16/h6,9-10,13-14,16,19H,3-5,7-8,11-12,15H2,1-2H3
InChIKeyQBNQBJKAIHLNLD-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.52
Rot. Bonds5

About 2-cycloheptyl-N-methyl-2-phenylbutan-1-amine

2-cycloheptyl-N-methyl-2-phenylbutan-1-amine (PubChem CID 82933987) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-cycloheptyl-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-cycloheptyl-N-methyl-2-phenylbutan-1-amine
PubChem CID82933987
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-cycloheptyl-N-methyl-2-phenylbutan-1-amine
SMILESCCC(CNC)(c1ccccc1)C1CCCCCC1
InChIInChI=1S/C18H29N/c1-3-18(15-19-2,17-13-9-6-10-14-17)16-11-7-4-5-8-12-16/h6,9-10,13-14,16,19H,3-5,7-8,11-12,15H2,1-2H3
InChIKeyQBNQBJKAIHLNLD-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-chloro-2-cyclopentylbutan-2-yl)benzene
CID 82945804
(2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene
CID 150061832
2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
CID 4068699
2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine
CID 139927519
2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
CID 129368100
2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde
CID 174829123
2-(1,1-dioxothiolan-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 62724880
1-cyclohexyl-1-hydroxy-7-(methylamino)-1-phenylhept-5-yn-2-one
CID 15105857
N-[2-(1,1-dioxothiolan-3-yl)-2-phenylbutyl]cyclopropanamine
CID 62725078
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 2-cycloheptyl-N-methyl-2-phenylbutan-1-amine (CID 82933987) is 2-cycloheptyl-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 2-cycloheptyl-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 2-cycloheptyl-N-methyl-2-phenylbutan-1-amine is CCC(CNC)(c1ccccc1)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-N-methyl-2-phenylbutan-1-amine?
The InChIKey is QBNQBJKAIHLNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-18(15-19-2,17-13-9-6-10-14-17)16-11-7-4-5-8-12-16/h6,9-10,13-14,16,19H,3-5,7-8,11-12,15H2,1-2H3.
What are the key properties of 2-cycloheptyl-N-methyl-2-phenylbutan-1-amine?
2-cycloheptyl-N-methyl-2-phenylbutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 82933987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).