2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine

C16H31N — CID 81032219

IUPAC2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine
SMILESC=C(C)CC1CC(C)CCC1CNCC(C)C
InChIInChI=1S/C16H31N/c1-12(2)8-16-9-14(5)6-7-15(16)11-17-10-13(3)4/h13-17H,1,6-11H2,2-5H3
InChIKeyXBFQFWOXJMYHPJ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.25
Rot. Bonds6

About 2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine

2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81032219) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine
PubChem CID81032219
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine
SMILESC=C(C)CC1CC(C)CCC1CNCC(C)C
InChIInChI=1S/C16H31N/c1-12(2)8-16-9-14(5)6-7-15(16)11-17-10-13(3)4/h13-17H,1,6-11H2,2-5H3
InChIKeyXBFQFWOXJMYHPJ-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine
CID 81021977
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114477759
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 82935826
2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078
N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022824
N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033006
2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81031393
N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034599
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine
CID 81030178
2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine
CID 81026046
N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033331
N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine
CID 81029231

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine (CID 81032219) is 2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine is C=C(C)CC1CC(C)CCC1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is XBFQFWOXJMYHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(2)8-16-9-14(5)6-7-15(16)11-17-10-13(3)4/h13-17H,1,6-11H2,2-5H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine?
2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81032219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).