N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide

C14H26N2O — CID 55230734

IUPACN-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide
SMILESCC(C)CCN(C(=O)C1CNCC1C)C1CC1
InChIInChI=1S/C14H26N2O/c1-10(2)6-7-16(12-4-5-12)14(17)13-9-15-8-11(13)3/h10-13,15H,4-9H2,1-3H3
InChIKeyHWIHUSNAVZMUHJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.88
Rot. Bonds5

About N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide

N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide (PubChem CID 55230734) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide
PubChem CID55230734
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide
SMILESCC(C)CCN(C(=O)C1CNCC1C)C1CC1
InChIInChI=1S/C14H26N2O/c1-10(2)6-7-16(12-4-5-12)14(17)13-9-15-8-11(13)3/h10-13,15H,4-9H2,1-3H3
InChIKeyHWIHUSNAVZMUHJ-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide (CID 55230734) is N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide is CC(C)CCN(C(=O)C1CNCC1C)C1CC1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide?
The InChIKey is HWIHUSNAVZMUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(2)6-7-16(12-4-5-12)14(17)13-9-15-8-11(13)3/h10-13,15H,4-9H2,1-3H3.
What are the key properties of N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide?
N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55230734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).