1-(4-butylcyclohexyl)-N-methylethanamine

C13H27N — CID 115780857

IUPAC1-(4-butylcyclohexyl)-N-methylethanamine
SMILESCCCCC1CCC(C(C)NC)CC1
InChIInChI=1S/C13H27N/c1-4-5-6-12-7-9-13(10-8-12)11(2)14-3/h11-14H,4-10H2,1-3H3
InChIKeyMIFMOUOHWGEBOC-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-butylcyclohexyl)-N-methylethanamine

1-(4-butylcyclohexyl)-N-methylethanamine (PubChem CID 115780857) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-N-methylethanamine
PubChem CID115780857
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(4-butylcyclohexyl)-N-methylethanamine
SMILESCCCCC1CCC(C(C)NC)CC1
InChIInChI=1S/C13H27N/c1-4-5-6-12-7-9-13(10-8-12)11(2)14-3/h11-14H,4-10H2,1-3H3
InChIKeyMIFMOUOHWGEBOC-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 115834392
1-(4-butylcyclohexyl)-2-methylpentan-1-ol
CID 114013662
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
1-cyclopropyl-N-methylethanamine;hydrochloride
CID 24649766
(1R)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 94033456
1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
CID 114978751
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
1-(4-butylcyclohexyl)-N-ethylpropan-1-amine
CID 114979356
1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 55196072
1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine
CID 105033925
1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine
CID 104986932
bis[1-(4-butylcyclohexyl)ethyl] carbonate
CID 141418629

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-N-methylethanamine?
The IUPAC name of 1-(4-butylcyclohexyl)-N-methylethanamine (CID 115780857) is 1-(4-butylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 1-(4-butylcyclohexyl)-N-methylethanamine is CCCCC1CCC(C(C)NC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-N-methylethanamine?
The InChIKey is MIFMOUOHWGEBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-6-12-7-9-13(10-8-12)11(2)14-3/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(4-butylcyclohexyl)-N-methylethanamine?
1-(4-butylcyclohexyl)-N-methylethanamine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 115780857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).