N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine

C19H32N2 — CID 79540841

IUPACN-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(CC1CCCCCN1)NC(c1ccccc1)C(C)C
InChIInChI=1S/C19H32N2/c1-15(2)19(17-10-6-4-7-11-17)21-16(3)14-18-12-8-5-9-13-20-18/h4,6-7,10-11,15-16,18-21H,5,8-9,12-14H2,1-3H3
InChIKeyWVVNGYBEWUXJMY-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.28
Rot. Bonds6

About N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine

N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 79540841) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine
PubChem CID79540841
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(CC1CCCCCN1)NC(c1ccccc1)C(C)C
InChIInChI=1S/C19H32N2/c1-15(2)19(17-10-6-4-7-11-17)21-16(3)14-18-12-8-5-9-13-20-18/h4,6-7,10-11,15-16,18-21H,5,8-9,12-14H2,1-3H3
InChIKeyWVVNGYBEWUXJMY-UHFFFAOYSA-N
XLogP4.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79538040
2,2-dimethyl-1-phenyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 79536453
(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
CID 107862315
2-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79539961
1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 79553763
1-(azepan-2-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81373374
1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine
CID 79560545
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
CID 81379842
1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine
CID 82710017
N-[1-(furan-2-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79549697
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine (CID 79540841) is N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine is CC(CC1CCCCCN1)NC(c1ccccc1)C(C)C.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is WVVNGYBEWUXJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)19(17-10-6-4-7-11-17)21-16(3)14-18-12-8-5-9-13-20-18/h4,6-7,10-11,15-16,18-21H,5,8-9,12-14H2,1-3H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine?
N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 79540841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).