N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide

C15H28N2O2 — CID 106975117

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC2(CO)CCCCC2)CCCN1
InChIInChI=1S/C15H28N2O2/c1-2-7-15(10-6-11-16-15)13(19)17-14(12-18)8-4-3-5-9-14/h16,18H,2-12H2,1H3,(H,17,19)
InChIKeyOEESPYRTZVXIOW-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.72
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975117) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106975117
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC2(CO)CCCCC2)CCCN1
InChIInChI=1S/C15H28N2O2/c1-2-7-15(10-6-11-16-15)13(19)17-14(12-18)8-4-3-5-9-14/h16,18H,2-12H2,1H3,(H,17,19)
InChIKeyOEESPYRTZVXIOW-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-propylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106974817
N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975355
(2S)-2-propylpiperidine-2-carboxylic acid
CID 101384273
N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide
CID 106975717
methyl (2R)-2-propylpiperidine-2-carboxylate
CID 95169858
3-methyl-1-[(2-propylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 106974958
N-octyl-2-propylpyrrolidine-2-carboxamide
CID 106975640
(2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 106974844
N-(2-oxo-2-piperidin-1-ylethyl)-2-propylpyrrolidine-2-carboxamide
CID 106975739
2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid
CID 106975363
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
N-(2,3-dimethylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975317

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide (CID 106975117) is N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NC2(CO)CCCCC2)CCCN1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is OEESPYRTZVXIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-7-15(10-6-11-16-15)13(19)17-14(12-18)8-4-3-5-9-14/h16,18H,2-12H2,1H3,(H,17,19).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).