N-[4-(methylamino)cyclohexyl]pent-4-enamide

C12H22N2O — CID 79110901

IUPACN-[4-(methylamino)cyclohexyl]pent-4-enamide
SMILESC=CCCC(=O)NC1CCC(NC)CC1
InChIInChI=1S/C12H22N2O/c1-3-4-5-12(15)14-11-8-6-10(13-2)7-9-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)
InChIKeyLHYZAKBMVDLNNI-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.60
Rot. Bonds5

About N-[4-(methylamino)cyclohexyl]pent-4-enamide

N-[4-(methylamino)cyclohexyl]pent-4-enamide (PubChem CID 79110901) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[4-(methylamino)cyclohexyl]pent-4-enamide.

Molecular Properties

Compound NameN-[4-(methylamino)cyclohexyl]pent-4-enamide
PubChem CID79110901
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[4-(methylamino)cyclohexyl]pent-4-enamide
SMILESC=CCCC(=O)NC1CCC(NC)CC1
InChIInChI=1S/C12H22N2O/c1-3-4-5-12(15)14-11-8-6-10(13-2)7-9-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)
InChIKeyLHYZAKBMVDLNNI-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-piperidin-4-ylpent-4-enamide
CID 62679298
N-(4-aminocyclohexyl)hex-5-enamide
CID 119478568
N-(3-aminocyclobutyl)pent-4-enamide
CID 62677212
N,N'-dicyclopropylbutanediamide
CID 5225156
N,N'-dicyclopropyldecanediamide
CID 4668836
3-cyclohexyl-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653177
N-cyclopropyl-2-(hex-5-en-2-ylamino)acetamide
CID 104655408
N-cyclopropylnon-5-enamide
CID 123392162
N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide
CID 96568508
4-chloro-N-cyclopropylbutanamide
CID 5152347
N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide
CID 119459100
N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)cyclohexyl]pent-4-enamide?
The IUPAC name of N-[4-(methylamino)cyclohexyl]pent-4-enamide (CID 79110901) is N-[4-(methylamino)cyclohexyl]pent-4-enamide.
What is the SMILES notation for N-[4-(methylamino)cyclohexyl]pent-4-enamide?
The canonical SMILES for N-[4-(methylamino)cyclohexyl]pent-4-enamide is C=CCCC(=O)NC1CCC(NC)CC1.
What is the InChIKey of N-[4-(methylamino)cyclohexyl]pent-4-enamide?
The InChIKey is LHYZAKBMVDLNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-5-12(15)14-11-8-6-10(13-2)7-9-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15).
What are the key properties of N-[4-(methylamino)cyclohexyl]pent-4-enamide?
N-[4-(methylamino)cyclohexyl]pent-4-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)cyclohexyl]pent-4-enamide is sourced from PubChem (CID 79110901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).