2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine

C16H33N — CID 55194903

IUPAC2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)(CNC)CC1CCCCC1
InChIInChI=1S/C16H33N/c1-4-6-12-16(5-2,14-17-3)13-15-10-8-7-9-11-15/h15,17H,4-14H2,1-3H3
InChIKeyHKSQYEQDULRKIQ-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds8

About 2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine

2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine (PubChem CID 55194903) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine
PubChem CID55194903
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)(CNC)CC1CCCCC1
InChIInChI=1S/C16H33N/c1-4-6-12-16(5-2,14-17-3)13-15-10-8-7-9-11-15/h15,17H,4-14H2,1-3H3
InChIKeyHKSQYEQDULRKIQ-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62725827
butylcyclohexane;N-methylmethanamine
CID 174941558
2-(cyclopentylmethyl)-2-ethylbutan-1-ol
CID 66058711
2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol
CID 79449950
2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine
CID 62723627
2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
CID 59289836
2,2-bis(chloromethyl)pentylcyclopentane
CID 79447124
2,2-difluorononadecylcycloundecane
CID 90054056
N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine
CID 103138545
N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane
CID 142306580
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
tetradecylcycloundecane
CID 169026040

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine?
The IUPAC name of 2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine (CID 55194903) is 2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine.
What is the SMILES notation for 2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine?
The canonical SMILES for 2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine is CCCCC(CC)(CNC)CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine?
The InChIKey is HKSQYEQDULRKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-6-12-16(5-2,14-17-3)13-15-10-8-7-9-11-15/h15,17H,4-14H2,1-3H3.
What are the key properties of 2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine?
2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine is sourced from PubChem (CID 55194903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).