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

C15H29N — CID 116539144

IUPAC3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(C2CCC(C)C(C)C2)C1
InChIInChI=1S/C15H29N/c1-11-5-6-13(9-12(11)2)15(3)8-7-14(10-15)16-4/h11-14,16H,5-10H2,1-4H3
InChIKeyLZXFVYLOTKYRGC-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.84
Rot. Bonds2

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

3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine (PubChem CID 116539144) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine
PubChem CID116539144
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(C2CCC(C)C(C)C2)C1
InChIInChI=1S/C15H29N/c1-11-5-6-13(9-12(11)2)15(3)8-7-14(10-15)16-4/h11-14,16H,5-10H2,1-4H3
InChIKeyLZXFVYLOTKYRGC-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine (CID 116539144) is 3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine is CNC1CCC(C)(C2CCC(C)C(C)C2)C1.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine?
The InChIKey is LZXFVYLOTKYRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11-5-6-13(9-12(11)2)15(3)8-7-14(10-15)16-4/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine?
3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 3.84, 2 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-dimethylcyclopentan-1-amine is sourced from PubChem (CID 116539144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).