N-butyl-N-(1-cyclohexylprop-2-enyl)formamide

C14H25NO — CID 19012657

IUPACN-butyl-N-(1-cyclohexylprop-2-enyl)formamide
SMILESC=CC(C1CCCCC1)N(C=O)CCCC
InChIInChI=1S/C14H25NO/c1-3-5-11-15(12-16)14(4-2)13-9-7-6-8-10-13/h4,12-14H,2-3,5-11H2,1H3
InChIKeyKHDAIAHOVXLWRZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.38
Rot. Bonds7

About N-butyl-N-(1-cyclohexylprop-2-enyl)formamide

N-butyl-N-(1-cyclohexylprop-2-enyl)formamide (PubChem CID 19012657) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-butyl-N-(1-cyclohexylprop-2-enyl)formamide.

Molecular Properties

Compound NameN-butyl-N-(1-cyclohexylprop-2-enyl)formamide
PubChem CID19012657
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-butyl-N-(1-cyclohexylprop-2-enyl)formamide
SMILESC=CC(C1CCCCC1)N(C=O)CCCC
InChIInChI=1S/C14H25NO/c1-3-5-11-15(12-16)14(4-2)13-9-7-6-8-10-13/h4,12-14H,2-3,5-11H2,1H3
InChIKeyKHDAIAHOVXLWRZ-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(cyclohexylamino)formamide
CID 57011630
(2S)-2-cyclohexylbutanal
CID 88959248
(2S)-2-[butyl(formyl)amino]pent-4-enoic acid
CID 143411974
[(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane
CID 101458379
2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid
CID 63689813
N-butyl-N-cyclopropylformamide
CID 19080210
[(E)-oct-2-en-4-yl]cyclohexane
CID 134979965
acetaldehyde;ethane;(1-methoxy-2-methylheptyl)cycloheptane
CID 144942769
N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine
CID 62070003
1-cyclopropylpentylcycloheptane
CID 91177068
N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine
CID 104744588
[(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane
CID 15652077

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1-cyclohexylprop-2-enyl)formamide?
The IUPAC name of N-butyl-N-(1-cyclohexylprop-2-enyl)formamide (CID 19012657) is N-butyl-N-(1-cyclohexylprop-2-enyl)formamide.
What is the SMILES notation for N-butyl-N-(1-cyclohexylprop-2-enyl)formamide?
The canonical SMILES for N-butyl-N-(1-cyclohexylprop-2-enyl)formamide is C=CC(C1CCCCC1)N(C=O)CCCC.
What is the InChIKey of N-butyl-N-(1-cyclohexylprop-2-enyl)formamide?
The InChIKey is KHDAIAHOVXLWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-5-11-15(12-16)14(4-2)13-9-7-6-8-10-13/h4,12-14H,2-3,5-11H2,1H3.
What are the key properties of N-butyl-N-(1-cyclohexylprop-2-enyl)formamide?
N-butyl-N-(1-cyclohexylprop-2-enyl)formamide has a molecular weight of 223.36 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1-cyclohexylprop-2-enyl)formamide is sourced from PubChem (CID 19012657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).