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

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Related Compounds

1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide
CID 114763026
1-cyclobutyl-N-methylpyrrolidine-2-carboxamide
CID 126990833
1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide
CID 114762479
N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118534964
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid
CID 118295136
4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
CID 79686955
1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763375
N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide
CID 65019205

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).