1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine

C13H27N — CID 89010871

IUPAC1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine
SMILESCCCCC1CCC(CNC)CC1C
InChIInChI=1S/C13H27N/c1-4-5-6-13-8-7-12(10-14-3)9-11(13)2/h11-14H,4-10H2,1-3H3
InChIKeyZBRYXHCBLUBMHD-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds5

About 1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine

1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine (PubChem CID 89010871) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine
PubChem CID89010871
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine
SMILESCCCCC1CCC(CNC)CC1C
InChIInChI=1S/C13H27N/c1-4-5-6-13-8-7-12(10-14-3)9-11(13)2/h11-14H,4-10H2,1-3H3
InChIKeyZBRYXHCBLUBMHD-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

1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
CID 81029078
N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
CID 81025245
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
1-methyl-2-pentadecylcyclopropane
CID 54385825
1-(3-ethyl-3-methylpentyl)-2-methyl-4-octylcyclohexane
CID 123923446
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
1-(2-hexylcycloheptyl)-N-methylmethanamine
CID 81025973
2-[4-[(1S,2R,4S)-2,4-dimethylcyclohexyl]butylamino]ethanethiol
CID 97107617

Frequently Asked Questions

What is the IUPAC name of 1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine (CID 89010871) is 1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine is CCCCC1CCC(CNC)CC1C.
What is the InChIKey of 1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is ZBRYXHCBLUBMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-6-13-8-7-12(10-14-3)9-11(13)2/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine?
1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine 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 1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 89010871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).