6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine

C19H38N2 — CID 79842625

IUPAC6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(CN2CCCC(C)C2C)CCCC1(C)C
InChIInChI=1S/C19H38N2/c1-6-12-20-18-17(10-7-11-19(18,4)5)14-21-13-8-9-15(2)16(21)3/h15-18,20H,6-14H2,1-5H3
InChIKeyYSSBMRNJJYFNEJ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds5

About 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine

6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 79842625) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
PubChem CID79842625
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(CN2CCCC(C)C2C)CCCC1(C)C
InChIInChI=1S/C19H38N2/c1-6-12-20-18-17(10-7-11-19(18,4)5)14-21-13-8-9-15(2)16(21)3/h15-18,20H,6-14H2,1-5H3
InChIKeyYSSBMRNJJYFNEJ-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine (CID 79842625) is 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine is CCCNC1C(CN2CCCC(C)C2C)CCCC1(C)C.
What is the InChIKey of 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is YSSBMRNJJYFNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-6-12-20-18-17(10-7-11-19(18,4)5)14-21-13-8-9-15(2)16(21)3/h15-18,20H,6-14H2,1-5H3.
What are the key properties of 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine?
6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79842625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).