N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide

C11H18N2O — CID 103837485

IUPACN-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCCCCC#N
InChIInChI=1S/C11H18N2O/c1-11(2)8-9(11)10(14)13-7-5-3-4-6-12/h9H,3-5,7-8H2,1-2H3,(H,13,14)
InChIKeyWBBZSWJYFWNOKB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.84
Rot. Bonds5

About N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 103837485) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID103837485
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCCCCC#N
InChIInChI=1S/C11H18N2O/c1-11(2)8-9(11)10(14)13-7-5-3-4-6-12/h9H,3-5,7-8H2,1-2H3,(H,13,14)
InChIKeyWBBZSWJYFWNOKB-UHFFFAOYSA-N
XLogP1.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130628725
N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000185
4-amino-N-(3-cyanopropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628781
N-(3-cyanopropyl)-2-methylcyclopropane-1-carboxamide
CID 62667763
3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide
CID 66009224
N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130635135
(E)-8-cyano-2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid
CID 19878114
N-(4-cyanobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79208844
N-(3-cyanopropyl)cyclohexanecarboxamide
CID 62666827
2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide
CID 82768534
ethyl 4-[(2,2-dimethylcyclopropanecarbonyl)amino]butanoate
CID 103837341
2-bromo-N-(4-cyanobutyl)propanamide
CID 107905319

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 103837485) is N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NCCCCC#N.
What is the InChIKey of N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is WBBZSWJYFWNOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2)8-9(11)10(14)13-7-5-3-4-6-12/h9H,3-5,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 103837485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).