6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine

C16H32N2 — CID 79853423

IUPAC6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CN(CC2CCCC(C)(C)C2N)C1
InChIInChI=1S/C16H32N2/c1-12-8-13(2)10-18(9-12)11-14-6-5-7-16(3,4)15(14)17/h12-15H,5-11,17H2,1-4H3
InChIKeyVBODDHQQNSKLPR-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.12
Rot. Bonds2

About 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine

6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79853423) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79853423
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CN(CC2CCCC(C)(C)C2N)C1
InChIInChI=1S/C16H32N2/c1-12-8-13(2)10-18(9-12)11-14-6-5-7-16(3,4)15(14)17/h12-15H,5-11,17H2,1-4H3
InChIKeyVBODDHQQNSKLPR-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine (CID 79853423) is 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine is CC1CC(C)CN(CC2CCCC(C)(C)C2N)C1.
What is the InChIKey of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is VBODDHQQNSKLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12-8-13(2)10-18(9-12)11-14-6-5-7-16(3,4)15(14)17/h12-15H,5-11,17H2,1-4H3.
What are the key properties of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79853423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).