1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine

C13H26N2 — CID 103575548

IUPAC1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine
SMILESCC1CCC(N2CC(C)C(N)C2)C(C)C1
InChIInChI=1S/C13H26N2/c1-9-4-5-13(10(2)6-9)15-7-11(3)12(14)8-15/h9-13H,4-8,14H2,1-3H3
InChIKeyJQBAEWGDJCQKHZ-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.09
Rot. Bonds1

About 1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine

1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine (PubChem CID 103575548) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine
PubChem CID103575548
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine
SMILESCC1CCC(N2CC(C)C(N)C2)C(C)C1
InChIInChI=1S/C13H26N2/c1-9-4-5-13(10(2)6-9)15-7-11(3)12(14)8-15/h9-13H,4-8,14H2,1-3H3
InChIKeyJQBAEWGDJCQKHZ-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-amine
CID 63996480
4-methyl-1-(2-methylcyclohexyl)pyrrolidin-3-amine
CID 103575116
1-(2,4-dimethylcyclohexyl)-3-ethylpiperidin-4-amine
CID 81458379
(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-amine
CID 124709446
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine
CID 103575631
2-(3-amino-4-methylpyrrolidin-1-yl)cyclohexan-1-ol
CID 103576741
2-(3,4-dimethylpyrrolidin-1-yl)cyclopentan-1-amine
CID 79188038
2,4-dimethylcyclohexan-1-amine
CID 14675373
1-cyclooctyl-4-methylpyrrolidin-3-amine
CID 103575307
2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-amine
CID 79188144
1-(2,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64953434
1-(2,5-dimethylcyclohexyl)-5-methylpiperidin-3-amine
CID 79986356

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine (CID 103575548) is 1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine is CC1CCC(N2CC(C)C(N)C2)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine?
The InChIKey is JQBAEWGDJCQKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-9-4-5-13(10(2)6-9)15-7-11(3)12(14)8-15/h9-13H,4-8,14H2,1-3H3.
What are the key properties of 1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine?
1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine has a molecular weight of 210.37 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).