N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide

C15H28N2O2 — CID 106361369

IUPACN-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC2CCCCC2CO)CCNC1
InChIInChI=1S/C15H28N2O2/c1-2-7-15(8-9-16-11-15)14(19)17-13-6-4-3-5-12(13)10-18/h12-13,16,18H,2-11H2,1H3,(H,17,19)
InChIKeyAEFOVTWFUJVJTG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.43
Rot. Bonds5

About N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide

N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 106361369) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID106361369
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC2CCCCC2CO)CCNC1
InChIInChI=1S/C15H28N2O2/c1-2-7-15(8-9-16-11-15)14(19)17-13-6-4-3-5-12(13)10-18/h12-13,16,18H,2-11H2,1H3,(H,17,19)
InChIKeyAEFOVTWFUJVJTG-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-propylpyrrolidine-3-carboxamide
CID 63141137
3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 63140425
N-[2-(hydroxymethyl)cyclohexyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 106361521
N-cyclobutyl-3-propylpyrrolidine-3-carboxamide
CID 63142561
4-ethyl-N-(2-ethylcyclohexyl)piperidine-4-carboxamide
CID 63128033
2-[(4-propylpiperidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64815004
2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813514
N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 55164946
N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114178691
N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide
CID 63139427
1-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]cyclopentane-1-carboxamide
CID 103811415
N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide
CID 63130418

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide (CID 106361369) is N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NC2CCCCC2CO)CCNC1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is AEFOVTWFUJVJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-7-15(8-9-16-11-15)14(19)17-13-6-4-3-5-12(13)10-18/h12-13,16,18H,2-11H2,1H3,(H,17,19).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide?
N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106361369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).