1-butylcyclohexane-1-carboxamide

C11H21NO — CID 57018178

IUPAC1-butylcyclohexane-1-carboxamide
SMILESCCCCC1(C(N)=O)CCCCC1
InChIInChI=1S/C11H21NO/c1-2-3-7-11(10(12)13)8-5-4-6-9-11/h2-9H2,1H3,(H2,12,13)
InChIKeyCFRCMZCIUFYREH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.61
Rot. Bonds4

About 1-butylcyclohexane-1-carboxamide

1-butylcyclohexane-1-carboxamide (PubChem CID 57018178) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-butylcyclohexane-1-carboxamide
PubChem CID57018178
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-butylcyclohexane-1-carboxamide
SMILESCCCCC1(C(N)=O)CCCCC1
InChIInChI=1S/C11H21NO/c1-2-3-7-11(10(12)13)8-5-4-6-9-11/h2-9H2,1H3,(H2,12,13)
InChIKeyCFRCMZCIUFYREH-UHFFFAOYSA-N
XLogP2.61
TPSA43.09 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-decylcyclobutane-1-carboxamide
CID 10037267
1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide
CID 70614792
1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide
CID 67540798
ethyl 1-butylcyclohexane-1-carboxylate
CID 22016316
1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide
CID 23208382
1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide
CID 66641260
1-ethylcyclopentane-1-carboxamide
CID 55285008
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-pentylcyclohexane-1-carboxylate
CID 22407698
1-butylcyclobutane-1-carbothioamide
CID 145047182
tert-butyl 1-butylcyclohexane-1-carboxylate
CID 150671065

Frequently Asked Questions

What is the IUPAC name of 1-butylcyclohexane-1-carboxamide?
The IUPAC name of 1-butylcyclohexane-1-carboxamide (CID 57018178) is 1-butylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-butylcyclohexane-1-carboxamide?
The canonical SMILES for 1-butylcyclohexane-1-carboxamide is CCCCC1(C(N)=O)CCCCC1.
What is the InChIKey of 1-butylcyclohexane-1-carboxamide?
The InChIKey is CFRCMZCIUFYREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-7-11(10(12)13)8-5-4-6-9-11/h2-9H2,1H3,(H2,12,13).
What are the key properties of 1-butylcyclohexane-1-carboxamide?
1-butylcyclohexane-1-carboxamide has a molecular weight of 183.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 57018178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).