4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide

C13H23N3O — CID 144920923

IUPAC4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide
SMILES[H]/N=C\C=C/C(=C\CC)CCNC(=O)CCCN
InChIInChI=1S/C13H23N3O/c1-2-5-12(6-3-9-14)8-11-16-13(17)7-4-10-15/h3,5-6,9,14H,2,4,7-8,10-11,15H2,1H3,(H,16,17)/b6-3-,12-5+,14-9-
InChIKeyHNGQMYBIWVFUOM-FHLYZCCDSA-N
MW237.35 g/mol
LogP1.77
Rot. Bonds9

About 4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide

4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide (PubChem CID 144920923) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide
PubChem CID144920923
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide
SMILES[H]/N=C\C=C/C(=C\CC)CCNC(=O)CCCN
InChIInChI=1S/C13H23N3O/c1-2-5-12(6-3-9-14)8-11-16-13(17)7-4-10-15/h3,5-6,9,14H,2,4,7-8,10-11,15H2,1H3,(H,16,17)/b6-3-,12-5+,14-9-
InChIKeyHNGQMYBIWVFUOM-FHLYZCCDSA-N
XLogP1.77
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide with MolForge

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Related Compounds

5-methanimidoyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-6-one
CID 118287090
(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-pentylundeca-3,6,8-trienamide
CID 123341356
(3E,6Z,8Z)-N-hexyl-2-methanimidoyl-4,7-dimethyl-5-methylideneundeca-3,6,8,10-tetraenamide
CID 123404493
N-ethyl-3-ethylidene-5-methylhex-4-enamide
CID 123412638
(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide
CID 123635276
(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide
CID 123709616
(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-pentylundeca-3,6,8,10-tetraenamide
CID 123745978
(Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide
CID 130178006
N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide
CID 139505979
(3Z)-3-ethenyl-N-propylhexa-3,5-dienamide
CID 142506323
(Z,3Z)-N-butyl-3-ethylidenehex-4-enamide
CID 142552133
N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide
CID 143514853

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide?
The IUPAC name of 4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide (CID 144920923) is 4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide.
What is the SMILES notation for 4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide?
The canonical SMILES for 4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide is [H]/N=C\C=C/C(=C\CC)CCNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide?
The InChIKey is HNGQMYBIWVFUOM-FHLYZCCDSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-5-12(6-3-9-14)8-11-16-13(17)7-4-10-15/h3,5-6,9,14H,2,4,7-8,10-11,15H2,1H3,(H,16,17)/b6-3-,12-5+,14-9-.
What are the key properties of 4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide?
4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide has a molecular weight of 237.35 g/mol, XLogP of 1.77, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide is sourced from PubChem (CID 144920923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).