4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline

C16H26N2 — CID 63626139

IUPAC4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline
SMILESCc1ccc(NCCN2CCCC(C)CC2)cc1
InChIInChI=1S/C16H26N2/c1-14-4-3-11-18(12-9-14)13-10-17-16-7-5-15(2)6-8-16/h5-8,14,17H,3-4,9-13H2,1-2H3
InChIKeyZULNFLBHQJXHKI-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.53
Rot. Bonds4

About 4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline

4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline (PubChem CID 63626139) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline
PubChem CID63626139
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline
SMILESCc1ccc(NCCN2CCCC(C)CC2)cc1
InChIInChI=1S/C16H26N2/c1-14-4-3-11-18(12-9-14)13-10-17-16-7-5-15(2)6-8-16/h5-8,14,17H,3-4,9-13H2,1-2H3
InChIKeyZULNFLBHQJXHKI-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63627196
3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 55249992
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-4-methylaniline
CID 63502167
2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54807933
3-(4-methylazepan-1-yl)-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142025150
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline
CID 63503641
5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 79840155
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
CID 63622599
2-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]benzonitrile
CID 107280326
3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82079424
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline (CID 63626139) is 4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline is Cc1ccc(NCCN2CCCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline?
The InChIKey is ZULNFLBHQJXHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-4-3-11-18(12-9-14)13-10-17-16-7-5-15(2)6-8-16/h5-8,14,17H,3-4,9-13H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline?
4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline is sourced from PubChem (CID 63626139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).