1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine

C14H29N — CID 104989434

IUPAC1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)C1CCC(C)C(C)C1
InChIInChI=1S/C14H29N/c1-5-10(2)8-14(15)13-7-6-11(3)12(4)9-13/h10-14H,5-9,15H2,1-4H3
InChIKeyTZLCGKIZSVWXQJ-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.82
Rot. Bonds4

About 1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine

1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine (PubChem CID 104989434) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine
PubChem CID104989434
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)C1CCC(C)C(C)C1
InChIInChI=1S/C14H29N/c1-5-10(2)8-14(15)13-7-6-11(3)12(4)9-13/h10-14H,5-9,15H2,1-4H3
InChIKeyTZLCGKIZSVWXQJ-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419955
1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
CID 104989433
1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine
CID 64738046
4-(1-chloropropyl)-1,2-dimethylcyclohexane
CID 79307796
2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol
CID 164658390
1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane
CID 91128405
1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine
CID 116715255
4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64739292
2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine
CID 65138768
3-methyl-1-(3-methylcyclohexyl)hexan-1-amine
CID 63414986
1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine
CID 64738041
1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 104989443

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine (CID 104989434) is 1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine is CCC(C)CC(N)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine?
The InChIKey is TZLCGKIZSVWXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-10(2)8-14(15)13-7-6-11(3)12(4)9-13/h10-14H,5-9,15H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine?
1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine is sourced from PubChem (CID 104989434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).