N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline

C17H28N2 — CID 64737201

IUPACN-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline
SMILESCCN(CC1C(C)CC(C)CC1N)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-19(15-8-6-5-7-9-15)12-16-14(3)10-13(2)11-17(16)18/h5-9,13-14,16-17H,4,10-12,18H2,1-3H3
InChIKeyRPICKOSVLHIVOD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds4

About N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline

N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline (PubChem CID 64737201) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline
PubChem CID64737201
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline
SMILESCCN(CC1C(C)CC(C)CC1N)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-19(15-8-6-5-7-9-15)12-16-14(3)10-13(2)11-17(16)18/h5-9,13-14,16-17H,4,10-12,18H2,1-3H3
InChIKeyRPICKOSVLHIVOD-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline?
The IUPAC name of N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline (CID 64737201) is N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline.
What is the SMILES notation for N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline?
The canonical SMILES for N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline is CCN(CC1C(C)CC(C)CC1N)c1ccccc1.
What is the InChIKey of N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline?
The InChIKey is RPICKOSVLHIVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(15-8-6-5-7-9-15)12-16-14(3)10-13(2)11-17(16)18/h5-9,13-14,16-17H,4,10-12,18H2,1-3H3.
What are the key properties of N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline?
N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline is sourced from PubChem (CID 64737201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).