1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine

C16H30N2 — CID 115722700

IUPAC1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(C)CC(NC2CC(C)N(C3CC3)C2)C1
InChIInChI=1S/C16H30N2/c1-11-6-12(2)8-14(7-11)17-15-9-13(3)18(10-15)16-4-5-16/h11-17H,4-10H2,1-3H3
InChIKeySBIPIJAJNRDHSH-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds3

About 1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine

1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine (PubChem CID 115722700) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine
PubChem CID115722700
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(C)CC(NC2CC(C)N(C3CC3)C2)C1
InChIInChI=1S/C16H30N2/c1-11-6-12(2)8-14(7-11)17-15-9-13(3)18(10-15)16-4-5-16/h11-17H,4-10H2,1-3H3
InChIKeySBIPIJAJNRDHSH-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine (CID 115722700) is 1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine is CC1CC(C)CC(NC2CC(C)N(C3CC3)C2)C1.
What is the InChIKey of 1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine?
The InChIKey is SBIPIJAJNRDHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-11-6-12(2)8-14(7-11)17-15-9-13(3)18(10-15)16-4-5-16/h11-17H,4-10H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine?
1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3,5-dimethylcyclohexyl)-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 115722700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).