1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine

C18H37N3 — CID 81452258

IUPAC1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCCNC1CC(C)CC(C)C1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C18H37N3/c1-7-8-19-16-10-13(2)9-14(3)18(16)21-11-15(4)17(12-21)20(5)6/h13-19H,7-12H2,1-6H3
InChIKeyDGLPFHTWEDJTFB-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.67
Rot. Bonds5

About 1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81452258) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81452258
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCCNC1CC(C)CC(C)C1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C18H37N3/c1-7-8-19-16-10-13(2)9-14(3)18(16)21-11-15(4)17(12-21)20(5)6/h13-19H,7-12H2,1-6H3
InChIKeyDGLPFHTWEDJTFB-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115559618
N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine
CID 81465092
2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64723017
N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
CID 81464857
2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64725027
2-[[ethyl(methyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736412
2-N,3,5-trimethyl-2-N-(2-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750765
2-N,3,5-trimethyl-2-N-(4-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64751336
2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine
CID 64723005
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736014
2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736211

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81452258) is 1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine is CCCNC1CC(C)CC(C)C1N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is DGLPFHTWEDJTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-7-8-19-16-10-13(2)9-14(3)18(16)21-11-15(4)17(12-21)20(5)6/h13-19H,7-12H2,1-6H3.
What are the key properties of 1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 295.51 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81452258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).