N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline

C17H28N2 — CID 63495505

IUPACN-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline
SMILESCCN(CC1CC(C)CCC1N)c1cccc(C)c1
InChIInChI=1S/C17H28N2/c1-4-19(16-7-5-6-13(2)11-16)12-15-10-14(3)8-9-17(15)18/h5-7,11,14-15,17H,4,8-10,12,18H2,1-3H3
InChIKeyWMFCZUFAKOCPOI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.58
Rot. Bonds4

About N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline

N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline (PubChem CID 63495505) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline
PubChem CID63495505
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline
SMILESCCN(CC1CC(C)CCC1N)c1cccc(C)c1
InChIInChI=1S/C17H28N2/c1-4-19(16-7-5-6-13(2)11-16)12-15-10-14(3)8-9-17(15)18/h5-7,11,14-15,17H,4,8-10,12,18H2,1-3H3
InChIKeyWMFCZUFAKOCPOI-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-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline
CID 63493479
N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline
CID 62611386
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethyl-3-methylaniline
CID 79867078
2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one
CID 62614567
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline
CID 62616722
N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55073617
3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine
CID 79467781
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline
CID 66469810
1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline?
The IUPAC name of N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline (CID 63495505) is N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline.
What is the SMILES notation for N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline?
The canonical SMILES for N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline is CCN(CC1CC(C)CCC1N)c1cccc(C)c1.
What is the InChIKey of N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline?
The InChIKey is WMFCZUFAKOCPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(16-7-5-6-13(2)11-16)12-15-10-14(3)8-9-17(15)18/h5-7,11,14-15,17H,4,8-10,12,18H2,1-3H3.
What are the key properties of N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline?
N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-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-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline is sourced from PubChem (CID 63495505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).