2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline

C19H32N2 — CID 64751764

IUPAC2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline
SMILESCCN(CC)Cc1ccccc1NC1CC(C)CC(C)C1
InChIInChI=1S/C19H32N2/c1-5-21(6-2)14-17-9-7-8-10-19(17)20-18-12-15(3)11-16(4)13-18/h7-10,15-16,18,20H,5-6,11-14H2,1-4H3
InChIKeyCXGYYBLPOUMVSI-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.76
Rot. Bonds6

About 2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline

2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline (PubChem CID 64751764) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline
PubChem CID64751764
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline
SMILESCCN(CC)Cc1ccccc1NC1CC(C)CC(C)C1
InChIInChI=1S/C19H32N2/c1-5-21(6-2)14-17-9-7-8-10-19(17)20-18-12-15(3)11-16(4)13-18/h7-10,15-16,18,20H,5-6,11-14H2,1-4H3
InChIKeyCXGYYBLPOUMVSI-UHFFFAOYSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline
CID 104859978
N-cyclohexyl-2-(diethylaminomethyl)aniline
CID 43729330
N-[2-(diethylaminomethyl)phenyl]oxolan-3-amine
CID 63335462
2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline
CID 43729304
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
N-[2-(diethylaminomethyl)phenyl]-2-methylthian-3-amine
CID 79956755
N-[[2-(2,2-diethylhydrazinyl)phenyl]methyl]-N-ethylethanamine
CID 101120062
N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline
CID 62633352
2-(ethoxymethyl)-N-(3-methylcyclopentyl)aniline
CID 64500672
N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline
CID 55034710
2-chloro-N-(3-methylcyclobutyl)aniline
CID 104860161
2-[(3,5-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64753384

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline?
The IUPAC name of 2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline (CID 64751764) is 2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline.
What is the SMILES notation for 2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline?
The canonical SMILES for 2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline is CCN(CC)Cc1ccccc1NC1CC(C)CC(C)C1.
What is the InChIKey of 2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline?
The InChIKey is CXGYYBLPOUMVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-21(6-2)14-17-9-7-8-10-19(17)20-18-12-15(3)11-16(4)13-18/h7-10,15-16,18,20H,5-6,11-14H2,1-4H3.
What are the key properties of 2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline?
2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline has a molecular weight of 288.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline is sourced from PubChem (CID 64751764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).