4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide

C12H23N3O — CID 137427804

IUPAC4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide
SMILESC/C=C\N=C(/C)CCCNC(=O)CCCN
InChIInChI=1S/C12H23N3O/c1-3-9-14-11(2)6-5-10-15-12(16)7-4-8-13/h3,9H,4-8,10,13H2,1-2H3,(H,15,16)/b9-3-,14-11+
InChIKeyWNPUJWHITJOOMQ-TVFNZJAJSA-N
MW225.34 g/mol
LogP1.62
Rot. Bonds8

About 4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide

4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide (PubChem CID 137427804) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide
PubChem CID137427804
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide
SMILESC/C=C\N=C(/C)CCCNC(=O)CCCN
InChIInChI=1S/C12H23N3O/c1-3-9-14-11(2)6-5-10-15-12(16)7-4-8-13/h3,9H,4-8,10,13H2,1-2H3,(H,15,16)/b9-3-,14-11+
InChIKeyWNPUJWHITJOOMQ-TVFNZJAJSA-N
XLogP1.62
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide?
The IUPAC name of 4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide (CID 137427804) is 4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide?
The canonical SMILES for 4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide is C/C=C\N=C(/C)CCCNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide?
The InChIKey is WNPUJWHITJOOMQ-TVFNZJAJSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-9-14-11(2)6-5-10-15-12(16)7-4-8-13/h3,9H,4-8,10,13H2,1-2H3,(H,15,16)/b9-3-,14-11+.
What are the key properties of 4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide?
4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide has a molecular weight of 225.34 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide is sourced from PubChem (CID 137427804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).