3-(1-cyclopropylpent-4-enylamino)butanamide

C12H22N2O — CID 115867757

IUPAC3-(1-cyclopropylpent-4-enylamino)butanamide
SMILESC=CCCC(NC(C)CC(N)=O)C1CC1
InChIInChI=1S/C12H22N2O/c1-3-4-5-11(10-6-7-10)14-9(2)8-12(13)15/h3,9-11,14H,1,4-8H2,2H3,(H2,13,15)
InChIKeyYKNSZVVICSEZPA-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.58
Rot. Bonds8

About 3-(1-cyclopropylpent-4-enylamino)butanamide

3-(1-cyclopropylpent-4-enylamino)butanamide (PubChem CID 115867757) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(1-cyclopropylpent-4-enylamino)butanamide.

Molecular Properties

Compound Name3-(1-cyclopropylpent-4-enylamino)butanamide
PubChem CID115867757
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(1-cyclopropylpent-4-enylamino)butanamide
SMILESC=CCCC(NC(C)CC(N)=O)C1CC1
InChIInChI=1S/C12H22N2O/c1-3-4-5-11(10-6-7-10)14-9(2)8-12(13)15/h3,9-11,14H,1,4-8H2,2H3,(H2,13,15)
InChIKeyYKNSZVVICSEZPA-UHFFFAOYSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.58
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

3-(hept-6-en-3-ylamino)butanamide
CID 115867780
2-(hex-5-en-2-ylamino)propanamide
CID 104581628
1-(1-cyclopropylpent-4-enylamino)pentan-3-ol
CID 115751518
1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol
CID 115751327
(3R,6S)-3,6-dimethyl-4-oxodec-9-enamide
CID 161131004
3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol
CID 115894959
4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol
CID 115897166
3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide
CID 115724442
1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine
CID 105311638
1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine
CID 65400751
2-amino-N-(1-cyclopropylpropan-2-yl)butanediamide;hydrochloride
CID 119957385

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpent-4-enylamino)butanamide?
The IUPAC name of 3-(1-cyclopropylpent-4-enylamino)butanamide (CID 115867757) is 3-(1-cyclopropylpent-4-enylamino)butanamide.
What is the SMILES notation for 3-(1-cyclopropylpent-4-enylamino)butanamide?
The canonical SMILES for 3-(1-cyclopropylpent-4-enylamino)butanamide is C=CCCC(NC(C)CC(N)=O)C1CC1.
What is the InChIKey of 3-(1-cyclopropylpent-4-enylamino)butanamide?
The InChIKey is YKNSZVVICSEZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-5-11(10-6-7-10)14-9(2)8-12(13)15/h3,9-11,14H,1,4-8H2,2H3,(H2,13,15).
What are the key properties of 3-(1-cyclopropylpent-4-enylamino)butanamide?
3-(1-cyclopropylpent-4-enylamino)butanamide has a molecular weight of 210.32 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpent-4-enylamino)butanamide is sourced from PubChem (CID 115867757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).