N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine

C13H27N — CID 81027427

IUPACN-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine
SMILESCCC(C)CC1CCCCC1CNC
InChIInChI=1S/C13H27N/c1-4-11(2)9-12-7-5-6-8-13(12)10-14-3/h11-14H,4-10H2,1-3H3
InChIKeyHSXHCTHXFLOCIR-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds5

About N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine

N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine (PubChem CID 81027427) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine
PubChem CID81027427
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine
SMILESCCC(C)CC1CCCCC1CNC
InChIInChI=1S/C13H27N/c1-4-11(2)9-12-7-5-6-8-13(12)10-14-3/h11-14H,4-10H2,1-3H3
InChIKeyHSXHCTHXFLOCIR-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine
CID 81028834
N-methyl-1-[2-(2-methylpropyl)cyclopentyl]methanamine
CID 81033789
1-ethyl-2-(2-methylbutyl)cyclopentane
CID 144979095
1-(2-methylbutyl)-2-propylcyclobutane
CID 90731668
(1S)-2-(methylaminomethyl)cyclohexan-1-amine
CID 129138174
1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine
CID 82934632
azane;2-methylbutylcyclohexane
CID 143986613
1-(2-hexylcycloheptyl)-N-methylmethanamine
CID 81025973
1-(2,6-dimethylheptyl)-2-ethylcyclohexane
CID 90996573
2-(2-methylbutyl)-7-oxabicyclo[4.1.0]heptane
CID 131972311
N-(cyclopentylmethyl)-2-methylbutan-1-amine
CID 43370775
1-[2-(methoxymethyl)cycloheptyl]-N-methylmethanamine
CID 81025446

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine (CID 81027427) is N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine is CCC(C)CC1CCCCC1CNC.
What is the InChIKey of N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine?
The InChIKey is HSXHCTHXFLOCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-11(2)9-12-7-5-6-8-13(12)10-14-3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine?
N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 5 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-methylbutyl)cyclohexyl]methanamine is sourced from PubChem (CID 81027427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).