N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide

C13H24N2O2 — CID 58376768

IUPACN'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide
SMILESCCCN(C(=O)CC(C)(C)CC(N)=O)C1CC1
InChIInChI=1S/C13H24N2O2/c1-4-7-15(10-5-6-10)12(17)9-13(2,3)8-11(14)16/h10H,4-9H2,1-3H3,(H2,14,16)
InChIKeyWHSLEUZYRCNWJD-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.68
Rot. Bonds7

About N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide

N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide (PubChem CID 58376768) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide.

Molecular Properties

Compound NameN'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide
PubChem CID58376768
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide
SMILESCCCN(C(=O)CC(C)(C)CC(N)=O)C1CC1
InChIInChI=1S/C13H24N2O2/c1-4-7-15(10-5-6-10)12(17)9-13(2,3)8-11(14)16/h10H,4-9H2,1-3H3,(H2,14,16)
InChIKeyWHSLEUZYRCNWJD-UHFFFAOYSA-N
XLogP1.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid
CID 62935444
4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437610
4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
CID 43270140
1-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]cyclobutane-1-carboxamide
CID 58376524
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
3,3,3-trifluoro-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824721
N-cyclopropyl-N-propylcarbamoyl bromide
CID 140982146
N-(4-aminocyclohexyl)-2-cyclopentyl-N-propylacetamide
CID 79111500
2-hydroxyethyl N-cyclopropyl-N-propylcarbamate
CID 79346146
N-cyclopropyl-2-(1-methylcyclopropyl)-N-propylacetamide
CID 143729568
2-(1-aminocyclohexyl)-N-cyclopropyl-N-propylacetamide
CID 64684772
ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate
CID 43445694

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide?
The IUPAC name of N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide (CID 58376768) is N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide.
What is the SMILES notation for N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide?
The canonical SMILES for N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide is CCCN(C(=O)CC(C)(C)CC(N)=O)C1CC1.
What is the InChIKey of N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide?
The InChIKey is WHSLEUZYRCNWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-7-15(10-5-6-10)12(17)9-13(2,3)8-11(14)16/h10H,4-9H2,1-3H3,(H2,14,16).
What are the key properties of N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide?
N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide has a molecular weight of 240.35 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide is sourced from PubChem (CID 58376768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).