2-(pent-4-enylamino)cyclohexane-1-carboxamide

C12H22N2O — CID 86803782

IUPAC2-(pent-4-enylamino)cyclohexane-1-carboxamide
SMILESC=CCCCNC1CCCCC1C(N)=O
InChIInChI=1S/C12H22N2O/c1-2-3-6-9-14-11-8-5-4-7-10(11)12(13)15/h2,10-11,14H,1,3-9H2,(H2,13,15)
InChIKeyRWOBILCJWKXNDD-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.59
Rot. Bonds6

About 2-(pent-4-enylamino)cyclohexane-1-carboxamide

2-(pent-4-enylamino)cyclohexane-1-carboxamide (PubChem CID 86803782) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(pent-4-enylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(pent-4-enylamino)cyclohexane-1-carboxamide
PubChem CID86803782
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(pent-4-enylamino)cyclohexane-1-carboxamide
SMILESC=CCCCNC1CCCCC1C(N)=O
InChIInChI=1S/C12H22N2O/c1-2-3-6-9-14-11-8-5-4-7-10(11)12(13)15/h2,10-11,14H,1,3-9H2,(H2,13,15)
InChIKeyRWOBILCJWKXNDD-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(hept-6-enylamino)cyclohexyl]methanol
CID 107167051
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxamide
CID 58168971
2-(methylamino)cyclohexane-1-carboxamide
CID 72740884
trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide
CID 99629963
2-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119334193
1-but-3-enyl-3-[(1R,2R)-2-(dec-9-enylcarbamoylamino)cyclohexyl]urea
CID 102018358
2-hept-6-enylcyclohexane-1-carboxylic acid
CID 107010655
2-hept-6-enylcycloheptane-1-carboxylic acid
CID 107010657
2-(cycloheptylamino)cyclopentane-1-carboxamide
CID 104587509
trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide
CID 102212864
trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide
CID 124829798
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide
CID 86802324

Frequently Asked Questions

What is the IUPAC name of 2-(pent-4-enylamino)cyclohexane-1-carboxamide?
The IUPAC name of 2-(pent-4-enylamino)cyclohexane-1-carboxamide (CID 86803782) is 2-(pent-4-enylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(pent-4-enylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(pent-4-enylamino)cyclohexane-1-carboxamide is C=CCCCNC1CCCCC1C(N)=O.
What is the InChIKey of 2-(pent-4-enylamino)cyclohexane-1-carboxamide?
The InChIKey is RWOBILCJWKXNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-6-9-14-11-8-5-4-7-10(11)12(13)15/h2,10-11,14H,1,3-9H2,(H2,13,15).
What are the key properties of 2-(pent-4-enylamino)cyclohexane-1-carboxamide?
2-(pent-4-enylamino)cyclohexane-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-4-enylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 86803782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).