N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline

C16H26N2 — CID 54807240

IUPACN-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1NCCN1CCCCCC1
InChIInChI=1S/C16H26N2/c1-14-8-7-9-15(2)16(14)17-10-13-18-11-5-3-4-6-12-18/h7-9,17H,3-6,10-13H2,1-2H3
InChIKeyZDVXNHIROTZSMZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.59
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline

N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline (PubChem CID 54807240) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline
PubChem CID54807240
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1NCCN1CCCCCC1
InChIInChI=1S/C16H26N2/c1-14-8-7-9-15(2)16(14)17-10-13-18-11-5-3-4-6-12-18/h7-9,17H,3-6,10-13H2,1-2H3
InChIKeyZDVXNHIROTZSMZ-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(azepan-1-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 113333701
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 62331138
2-[2-(azepan-1-yl)ethylamino]-3-methylbenzonitrile
CID 107111117
2-methyl-6-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 78918375
3-methyl-2-(2-pyrrolidin-1-ylethylamino)benzenecarbothioamide
CID 107108207
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889033
3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 107106367
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82088072

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline (CID 54807240) is N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline is Cc1cccc(C)c1NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline?
The InChIKey is ZDVXNHIROTZSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-8-7-9-15(2)16(14)17-10-13-18-11-5-3-4-6-12-18/h7-9,17H,3-6,10-13H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline?
N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline is sourced from PubChem (CID 54807240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).