N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide

C15H29N3O — CID 114763027

IUPACN-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCCCNC1CCC(N2CCCC2C(=O)NC)CC1
InChIInChI=1S/C15H29N3O/c1-3-10-17-12-6-8-13(9-7-12)18-11-4-5-14(18)15(19)16-2/h12-14,17H,3-11H2,1-2H3,(H,16,19)
InChIKeyXCINVXWXJNAXRL-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.51
Rot. Bonds5

About N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide

N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 114763027) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID114763027
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCCCNC1CCC(N2CCCC2C(=O)NC)CC1
InChIInChI=1S/C15H29N3O/c1-3-10-17-12-6-8-13(9-7-12)18-11-4-5-14(18)15(19)16-2/h12-14,17H,3-11H2,1-2H3,(H,16,19)
InChIKeyXCINVXWXJNAXRL-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide (CID 114763027) is N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide is CCCNC1CCC(N2CCCC2C(=O)NC)CC1.
What is the InChIKey of N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is XCINVXWXJNAXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-10-17-12-6-8-13(9-7-12)18-11-4-5-14(18)15(19)16-2/h12-14,17H,3-11H2,1-2H3,(H,16,19).
What are the key properties of N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide?
N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 114763027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).