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

C14H29N — CID 64738046

IUPAC1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine
SMILESCC1CCC(C(N)CC(C)(C)C)CC1C
InChIInChI=1S/C14H29N/c1-10-6-7-12(8-11(10)2)13(15)9-14(3,4)5/h10-13H,6-9,15H2,1-5H3
InChIKeyURCDZIWHBNORFT-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.82
Rot. Bonds2

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

1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine (PubChem CID 64738046) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine
PubChem CID64738046
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine
SMILESCC1CCC(C(N)CC(C)(C)C)CC1C
InChIInChI=1S/C14H29N/c1-10-6-7-12(8-11(10)2)13(15)9-14(3,4)5/h10-13H,6-9,15H2,1-5H3
InChIKeyURCDZIWHBNORFT-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine (CID 64738046) is 1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine is CC1CCC(C(N)CC(C)(C)C)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine?
The InChIKey is URCDZIWHBNORFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-10-6-7-12(8-11(10)2)13(15)9-14(3,4)5/h10-13H,6-9,15H2,1-5H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine?
1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 64738046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).