3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine

C14H29N — CID 81022684

IUPAC3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)C1CCC(C)C(C)C1
InChIInChI=1S/C14H29N/c1-11-6-7-13(10-12(11)2)14(3,4)8-9-15-5/h11-13,15H,6-10H2,1-5H3
InChIKeyHGGHLLHYTXZQOW-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.69
Rot. Bonds4

About 3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine

3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine (PubChem CID 81022684) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine
PubChem CID81022684
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)C1CCC(C)C(C)C1
InChIInChI=1S/C14H29N/c1-11-6-7-13(10-12(11)2)14(3,4)8-9-15-5/h11-13,15H,6-10H2,1-5H3
InChIKeyHGGHLLHYTXZQOW-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81034089
2-(3,4-dimethylcyclohexyl)-2-methylpropanal
CID 130743501
1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine
CID 146398853
2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine
CID 112567071
2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal
CID 66038858
2-methyl-2-(3-methylcyclopentyl)propan-1-ol
CID 130126553
3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine
CID 105436986
N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 81023448
1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine
CID 64739337
3-cyclopentyl-N-ethyl-3-methylbutan-1-amine
CID 81023788
3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine
CID 105435897
2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane
CID 45094286

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine (CID 81022684) is 3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine is CNCCC(C)(C)C1CCC(C)C(C)C1.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine?
The InChIKey is HGGHLLHYTXZQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11-6-7-13(10-12(11)2)14(3,4)8-9-15-5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine?
3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 81022684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).