N-(4,4-dimethylpentyl)cyclopropanecarboxamide

C11H21NO — CID 110421021

IUPACN-(4,4-dimethylpentyl)cyclopropanecarboxamide
SMILESCC(C)(C)CCCNC(=O)C1CC1
InChIInChI=1S/C11H21NO/c1-11(2,3)7-4-8-12-10(13)9-5-6-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyNWYASOAZJHISIV-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.34
Rot. Bonds4

About N-(4,4-dimethylpentyl)cyclopropanecarboxamide

N-(4,4-dimethylpentyl)cyclopropanecarboxamide (PubChem CID 110421021) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)cyclopropanecarboxamide
PubChem CID110421021
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(4,4-dimethylpentyl)cyclopropanecarboxamide
SMILESCC(C)(C)CCCNC(=O)C1CC1
InChIInChI=1S/C11H21NO/c1-11(2,3)7-4-8-12-10(13)9-5-6-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyNWYASOAZJHISIV-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4,4-dimethylpentyl)cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane
CID 161174524
N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
CID 115491611
1-cyclopropyl-3-(4,4-dimethylpentyl)urea
CID 110617831
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146641
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
4-(cyclooctanecarbonylamino)-2,2-dimethylbutanoic acid
CID 114285462
N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119522998
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
N-(5-hydroxy-4,4-dimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 109478612
N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119318990
4-(5,5-dimethylhexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122000907

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)cyclopropanecarboxamide?
The IUPAC name of N-(4,4-dimethylpentyl)cyclopropanecarboxamide (CID 110421021) is N-(4,4-dimethylpentyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)cyclopropanecarboxamide?
The canonical SMILES for N-(4,4-dimethylpentyl)cyclopropanecarboxamide is CC(C)(C)CCCNC(=O)C1CC1.
What is the InChIKey of N-(4,4-dimethylpentyl)cyclopropanecarboxamide?
The InChIKey is NWYASOAZJHISIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)7-4-8-12-10(13)9-5-6-9/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-(4,4-dimethylpentyl)cyclopropanecarboxamide?
N-(4,4-dimethylpentyl)cyclopropanecarboxamide has a molecular weight of 183.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)cyclopropanecarboxamide is sourced from PubChem (CID 110421021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).