N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine

C18H30N2 — CID 63622479

IUPACN-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
SMILESCNC(CCN1CCCC(C)CC1)c1ccc(C)cc1
InChIInChI=1S/C18H30N2/c1-15-5-4-12-20(13-10-15)14-11-18(19-3)17-8-6-16(2)7-9-17/h6-9,15,18-19H,4-5,10-14H2,1-3H3
InChIKeyNQVQAMSZEKOWGT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds5

About N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine

N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine (PubChem CID 63622479) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
PubChem CID63622479
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
SMILESCNC(CCN1CCCC(C)CC1)c1ccc(C)cc1
InChIInChI=1S/C18H30N2/c1-15-5-4-12-20(13-10-15)14-11-18(19-3)17-8-6-16(2)7-9-17/h6-9,15,18-19H,4-5,10-14H2,1-3H3
InChIKeyNQVQAMSZEKOWGT-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265
1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 63624690
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314
1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375
1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55099040
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 2757853
4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63626139
N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine
CID 63623524
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 63634255

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine (CID 63622479) is N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine is CNC(CCN1CCCC(C)CC1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine?
The InChIKey is NQVQAMSZEKOWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15-5-4-12-20(13-10-15)14-11-18(19-3)17-8-6-16(2)7-9-17/h6-9,15,18-19H,4-5,10-14H2,1-3H3.
What are the key properties of N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine?
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 63622479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).