N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine

C16H31N — CID 81029595

IUPACN-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine
SMILESC=C(CC)CC1CC(CCC)CCC1CNC
InChIInChI=1S/C16H31N/c1-5-7-14-8-9-15(12-17-4)16(11-14)10-13(3)6-2/h14-17H,3,5-12H2,1-2,4H3
InChIKeyHUVQLDDIXNSHJT-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.39
Rot. Bonds7

About N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine

N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine (PubChem CID 81029595) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine
PubChem CID81029595
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine
SMILESC=C(CC)CC1CC(CCC)CCC1CNC
InChIInChI=1S/C16H31N/c1-5-7-14-8-9-15(12-17-4)16(11-14)10-13(3)6-2/h14-17H,3,5-12H2,1-2,4H3
InChIKeyHUVQLDDIXNSHJT-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.39
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

N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine
CID 81029231
1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
CID 81029078
N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
CID 81029583
[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine
CID 81012662
N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 114477761
1-[2-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033230
N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine
CID 82882340
1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033714
1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81029072
N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
CID 81030395
N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
CID 82935925
1-[2-(3,5-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029451

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine (CID 81029595) is N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine is C=C(CC)CC1CC(CCC)CCC1CNC.
What is the InChIKey of N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine?
The InChIKey is HUVQLDDIXNSHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-5-7-14-8-9-15(12-17-4)16(11-14)10-13(3)6-2/h14-17H,3,5-12H2,1-2,4H3.
What are the key properties of N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine?
N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine has a molecular weight of 237.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 81029595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).