N-cyclohexyl-2-(diethylaminomethyl)aniline

C17H28N2 — CID 43729330

IUPACN-cyclohexyl-2-(diethylaminomethyl)aniline
SMILESCCN(CC)Cc1ccccc1NC1CCCCC1
InChIInChI=1S/C17H28N2/c1-3-19(4-2)14-15-10-8-9-13-17(15)18-16-11-6-5-7-12-16/h8-10,13,16,18H,3-7,11-12,14H2,1-2H3
InChIKeyYJEJRGCRQIVNEA-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.27
Rot. Bonds6

About N-cyclohexyl-2-(diethylaminomethyl)aniline

N-cyclohexyl-2-(diethylaminomethyl)aniline (PubChem CID 43729330) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(diethylaminomethyl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-2-(diethylaminomethyl)aniline
PubChem CID43729330
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-cyclohexyl-2-(diethylaminomethyl)aniline
SMILESCCN(CC)Cc1ccccc1NC1CCCCC1
InChIInChI=1S/C17H28N2/c1-3-19(4-2)14-15-10-8-9-13-17(15)18-16-11-6-5-7-12-16/h8-10,13,16,18H,3-7,11-12,14H2,1-2H3
InChIKeyYJEJRGCRQIVNEA-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline
CID 64751764
N-[2-(diethylaminomethyl)phenyl]oxolan-3-amine
CID 63335462
2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline
CID 43729304
N-[2-(ethoxymethyl)phenyl]cycloheptanamine
CID 43750302
N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline
CID 62633352
N-[2-(methoxymethyl)phenyl]cyclooctanamine
CID 43677867
N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline
CID 55034710
N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065
N-[2-(diethylaminomethyl)phenyl]-2-methylthian-3-amine
CID 79956755
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65083143
N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine
CID 103981509

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(diethylaminomethyl)aniline?
The IUPAC name of N-cyclohexyl-2-(diethylaminomethyl)aniline (CID 43729330) is N-cyclohexyl-2-(diethylaminomethyl)aniline.
What is the SMILES notation for N-cyclohexyl-2-(diethylaminomethyl)aniline?
The canonical SMILES for N-cyclohexyl-2-(diethylaminomethyl)aniline is CCN(CC)Cc1ccccc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(diethylaminomethyl)aniline?
The InChIKey is YJEJRGCRQIVNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-19(4-2)14-15-10-8-9-13-17(15)18-16-11-6-5-7-12-16/h8-10,13,16,18H,3-7,11-12,14H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(diethylaminomethyl)aniline?
N-cyclohexyl-2-(diethylaminomethyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(diethylaminomethyl)aniline is sourced from PubChem (CID 43729330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).