N-(3-aminopropyl)-2-iminobut-3-enamide

C7H13N3O — CID 123991360

IUPACN-(3-aminopropyl)-2-iminobut-3-enamide
SMILES[H]/N=C(\C=C)C(=O)NCCCN
InChIInChI=1S/C7H13N3O/c1-2-6(9)7(11)10-5-3-4-8/h2,9H,1,3-5,8H2,(H,10,11)/b9-6+
InChIKeyURNZBMODZQTLNQ-RMKNXTFCSA-N
MW155.20 g/mol
LogP-0.34
Rot. Bonds5

About N-(3-aminopropyl)-2-iminobut-3-enamide

N-(3-aminopropyl)-2-iminobut-3-enamide (PubChem CID 123991360) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-iminobut-3-enamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-iminobut-3-enamide
PubChem CID123991360
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-(3-aminopropyl)-2-iminobut-3-enamide
SMILES[H]/N=C(\C=C)C(=O)NCCCN
InChIInChI=1S/C7H13N3O/c1-2-6(9)7(11)10-5-3-4-8/h2,9H,1,3-5,8H2,(H,10,11)/b9-6+
InChIKeyURNZBMODZQTLNQ-RMKNXTFCSA-N
XLogP-0.34
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
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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Related Compounds

N-prop-2-enylazete-2-carboxamide
CID 57230834
6-imino-2,3-dihydro-1H-azepin-7-one
CID 123178649
N-(cyclopropylmethyl)-2-iminobut-3-enamide
CID 134479844
N-(2-iminobut-3-enyl)butanamide;methanimine;molecular hydrogen
CID 144540771
N-ethylazete-2-carboxamide
CID 154494778
2-ethenylimino-N-ethylbut-3-enamide
CID 170583189
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide
CID 171523312
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen
CID 171523476
(2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide
CID 178010345
N-(3-aminopropyl)but-3-enamide
CID 62678912
N-methyl-2-methyliminobut-3-enamide
CID 142886609
N-(2-iminobut-3-enyl)butanamide
CID 144540772

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-iminobut-3-enamide?
The IUPAC name of N-(3-aminopropyl)-2-iminobut-3-enamide (CID 123991360) is N-(3-aminopropyl)-2-iminobut-3-enamide.
What is the SMILES notation for N-(3-aminopropyl)-2-iminobut-3-enamide?
The canonical SMILES for N-(3-aminopropyl)-2-iminobut-3-enamide is [H]/N=C(\C=C)C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-iminobut-3-enamide?
The InChIKey is URNZBMODZQTLNQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-6(9)7(11)10-5-3-4-8/h2,9H,1,3-5,8H2,(H,10,11)/b9-6+.
What are the key properties of N-(3-aminopropyl)-2-iminobut-3-enamide?
N-(3-aminopropyl)-2-iminobut-3-enamide has a molecular weight of 155.20 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-iminobut-3-enamide is sourced from PubChem (CID 123991360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).