N-(4-ethylphenyl)-N-methylazepan-3-amine

C15H24N2 — CID 113229558

IUPACN-(4-ethylphenyl)-N-methylazepan-3-amine
SMILESCCc1ccc(N(C)C2CCCCNC2)cc1
InChIInChI=1S/C15H24N2/c1-3-13-7-9-14(10-8-13)17(2)15-6-4-5-11-16-12-15/h7-10,15-16H,3-6,11-12H2,1-2H3
InChIKeyDTSDSGGABABXDP-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.83
Rot. Bonds3

About N-(4-ethylphenyl)-N-methylazepan-3-amine

N-(4-ethylphenyl)-N-methylazepan-3-amine (PubChem CID 113229558) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-methylazepan-3-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-methylazepan-3-amine
PubChem CID113229558
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(4-ethylphenyl)-N-methylazepan-3-amine
SMILESCCc1ccc(N(C)C2CCCCNC2)cc1
InChIInChI=1S/C15H24N2/c1-3-13-7-9-14(10-8-13)17(2)15-6-4-5-11-16-12-15/h7-10,15-16H,3-6,11-12H2,1-2H3
InChIKeyDTSDSGGABABXDP-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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CID 115118684
3-(4-ethylphenyl)azepane
CID 83819662
5-ethyl-N-methyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116977534
N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
CID 63644319
N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
CID 63642004
N-(4-ethylphenyl)-N-methylpiperidine-3-carboxamide
CID 62002081
4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline
CID 62003228
N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 63727042
N-(cyclobutylmethyl)-N-methylazepan-3-amine
CID 62855304
(3S)-N,N-dimethylazepan-3-amine;dihydrochloride
CID 170898378
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
4-ethyl-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 62002097

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-methylazepan-3-amine?
The IUPAC name of N-(4-ethylphenyl)-N-methylazepan-3-amine (CID 113229558) is N-(4-ethylphenyl)-N-methylazepan-3-amine.
What is the SMILES notation for N-(4-ethylphenyl)-N-methylazepan-3-amine?
The canonical SMILES for N-(4-ethylphenyl)-N-methylazepan-3-amine is CCc1ccc(N(C)C2CCCCNC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-methylazepan-3-amine?
The InChIKey is DTSDSGGABABXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-13-7-9-14(10-8-13)17(2)15-6-4-5-11-16-12-15/h7-10,15-16H,3-6,11-12H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-methylazepan-3-amine?
N-(4-ethylphenyl)-N-methylazepan-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-methylazepan-3-amine is sourced from PubChem (CID 113229558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).