3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine

C19H32N2 — CID 63624687

IUPAC3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCCC(C)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-13-20-19(18-9-5-4-6-10-18)12-16-21-14-7-8-17(2)11-15-21/h4-6,9-10,17,19-20H,3,7-8,11-16H2,1-2H3
InChIKeyYSYQHMPKUGHDEQ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds7

About 3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine

3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine (PubChem CID 63624687) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
PubChem CID63624687
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCCC(C)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-13-20-19(18-9-5-4-6-10-18)12-16-21-14-7-8-17(2)11-15-21/h4-6,9-10,17,19-20H,3,7-8,11-16H2,1-2H3
InChIKeyYSYQHMPKUGHDEQ-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314
3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 79184402
1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63484292
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265
1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62628581
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine
CID 63624701
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine (CID 63624687) is 3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine is CCCNC(CCN1CCCC(C)CC1)c1ccccc1.
What is the InChIKey of 3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine?
The InChIKey is YSYQHMPKUGHDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-13-20-19(18-9-5-4-6-10-18)12-16-21-14-7-8-17(2)11-15-21/h4-6,9-10,17,19-20H,3,7-8,11-16H2,1-2H3.
What are the key properties of 3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine?
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 63624687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).