3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine

C18H30N2 — CID 65282253

IUPAC3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(CN1CCCC(C)(C)CC1)C(N)c1ccccc1
InChIInChI=1S/C18H30N2/c1-15(17(19)16-8-5-4-6-9-16)14-20-12-7-10-18(2,3)11-13-20/h4-6,8-9,15,17H,7,10-14,19H2,1-3H3
InChIKeyNPXRYZJSCRQWTO-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.83
Rot. Bonds4

About 3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine

3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine (PubChem CID 65282253) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine
PubChem CID65282253
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(CN1CCCC(C)(C)CC1)C(N)c1ccccc1
InChIInChI=1S/C18H30N2/c1-15(17(19)16-8-5-4-6-9-16)14-20-12-7-10-18(2,3)11-13-20/h4-6,8-9,15,17H,7,10-14,19H2,1-3H3
InChIKeyNPXRYZJSCRQWTO-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-1-phenylpropan-1-amine
CID 63159871
2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine
CID 65280974
3-(4,4-dimethylazepan-1-yl)-2-phenylpropanethioamide
CID 65281338
1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol
CID 106837864
3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine
CID 62619441
3-(2-cyclopentylpyrrolidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62617910
3-(4,4-dimethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941620
7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine
CID 65296260
2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol
CID 65282317
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 65281767
2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114490136

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine (CID 65282253) is 3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine is CC(CN1CCCC(C)(C)CC1)C(N)c1ccccc1.
What is the InChIKey of 3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine?
The InChIKey is NPXRYZJSCRQWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(17(19)16-8-5-4-6-9-16)14-20-12-7-10-18(2,3)11-13-20/h4-6,8-9,15,17H,7,10-14,19H2,1-3H3.
What are the key properties of 3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine?
3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 65282253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).