N-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide

C13H24N2O — CID 115578783

IUPACN-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide
SMILESCN(CC1CCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O/c1-14(11-12-7-3-2-4-8-12)13(16)15-9-5-6-10-15/h12H,2-11H2,1H3
InChIKeyCHYGGHTWEUUMDN-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.71
Rot. Bonds2

About N-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide

N-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide (PubChem CID 115578783) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide
PubChem CID115578783
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide
SMILESCN(CC1CCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O/c1-14(11-12-7-3-2-4-8-12)13(16)15-9-5-6-10-15/h12H,2-11H2,1H3
InChIKeyCHYGGHTWEUUMDN-UHFFFAOYSA-N
XLogP2.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide (CID 115578783) is N-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide is CN(CC1CCCCC1)C(=O)N1CCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide?
The InChIKey is CHYGGHTWEUUMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-14(11-12-7-3-2-4-8-12)13(16)15-9-5-6-10-15/h12H,2-11H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide?
N-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 115578783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).