N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline

C17H28N2 — CID 43428482

IUPACN-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline
SMILESCCN(c1ccccc1C)C1CC(C)CCC1CN
InChIInChI=1S/C17H28N2/c1-4-19(16-8-6-5-7-14(16)3)17-11-13(2)9-10-15(17)12-18/h5-8,13,15,17H,4,9-12,18H2,1-3H3
InChIKeyGBWUPURWJZIKKU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.58
Rot. Bonds4

About N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline

N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline (PubChem CID 43428482) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline
PubChem CID43428482
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline
SMILESCCN(c1ccccc1C)C1CC(C)CCC1CN
InChIInChI=1S/C17H28N2/c1-4-19(16-8-6-5-7-14(16)3)17-11-13(2)9-10-15(17)12-18/h5-8,13,15,17H,4,9-12,18H2,1-3H3
InChIKeyGBWUPURWJZIKKU-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-ethyl-2-methylaniline
CID 123141006
2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine
CID 43293723
N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 64749659
N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline
CID 63404368
N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline
CID 63483418
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293647
1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine
CID 79865413
2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293547
2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 64747727
(4-methyl-2-phenylsulfanylcyclohexyl)methanamine
CID 43530146
2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine
CID 61421776
[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
CID 43428941

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline?
The IUPAC name of N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline (CID 43428482) is N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline.
What is the SMILES notation for N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline?
The canonical SMILES for N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline is CCN(c1ccccc1C)C1CC(C)CCC1CN.
What is the InChIKey of N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline?
The InChIKey is GBWUPURWJZIKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(16-8-6-5-7-14(16)3)17-11-13(2)9-10-15(17)12-18/h5-8,13,15,17H,4,9-12,18H2,1-3H3.
What are the key properties of N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline?
N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline is sourced from PubChem (CID 43428482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).