2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine

C19H38N2 — CID 64736014

IUPAC2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1CN1CC(C)CC(C)C1
InChIInChI=1S/C19H38N2/c1-6-7-20-19-10-14(2)9-17(5)18(19)13-21-11-15(3)8-16(4)12-21/h14-20H,6-13H2,1-5H3
InChIKeyKAVPNEVQGCEKQK-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.01
Rot. Bonds5

About 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine

2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64736014) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64736014
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1CN1CC(C)CC(C)C1
InChIInChI=1S/C19H38N2/c1-6-7-20-19-10-14(2)9-17(5)18(19)13-21-11-15(3)8-16(4)12-21/h14-20H,6-13H2,1-5H3
InChIKeyKAVPNEVQGCEKQK-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115561997
2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736211
1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967290
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64735640
N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736016
N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 64736598
3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 64735235
2-[[ethyl(methyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736412
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736208
2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 64735248
2-[[cyclopropylmethyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736455
2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64735419

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64736014) is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1CN1CC(C)CC(C)C1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is KAVPNEVQGCEKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-6-7-20-19-10-14(2)9-17(5)18(19)13-21-11-15(3)8-16(4)12-21/h14-20H,6-13H2,1-5H3.
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64736014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).