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

C14H28N2 — CID 64745426

IUPACN-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine
SMILESCC1CCC(NC2CCCN(C)C2)CC1C
InChIInChI=1S/C14H28N2/c1-11-6-7-13(9-12(11)2)15-14-5-4-8-16(3)10-14/h11-15H,4-10H2,1-3H3
InChIKeyQSVKIAYQYQPCNO-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds2

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

N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine (PubChem CID 64745426) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine
PubChem CID64745426
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine
SMILESCC1CCC(NC2CCCN(C)C2)CC1C
InChIInChI=1S/C14H28N2/c1-11-6-7-13(9-12(11)2)15-14-5-4-8-16(3)10-14/h11-15H,4-10H2,1-3H3
InChIKeyQSVKIAYQYQPCNO-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine (CID 64745426) is N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine is CC1CCC(NC2CCCN(C)C2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine?
The InChIKey is QSVKIAYQYQPCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-6-7-13(9-12(11)2)15-14-5-4-8-16(3)10-14/h11-15H,4-10H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine?
N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 64745426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).