(E)-7-(diaminomethylideneamino)hept-2-enamide

C8H16N4O — CID 13273202

IUPAC(E)-7-(diaminomethylideneamino)hept-2-enamide
SMILESNC(=O)/C=C/CCCCN=C(N)N
InChIInChI=1S/C8H16N4O/c9-7(13)5-3-1-2-4-6-12-8(10)11/h3,5H,1-2,4,6H2,(H2,9,13)(H4,10,11,12)/b5-3+
InChIKeyMUBPBZMXUDIFIC-HWKANZROSA-N
MW184.24 g/mol
LogP-0.53
Rot. Bonds6

About (E)-7-(diaminomethylideneamino)hept-2-enamide

(E)-7-(diaminomethylideneamino)hept-2-enamide (PubChem CID 13273202) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is (E)-7-(diaminomethylideneamino)hept-2-enamide.

Molecular Properties

Compound Name(E)-7-(diaminomethylideneamino)hept-2-enamide
PubChem CID13273202
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name(E)-7-(diaminomethylideneamino)hept-2-enamide
SMILESNC(=O)/C=C/CCCCN=C(N)N
InChIInChI=1S/C8H16N4O/c9-7(13)5-3-1-2-4-6-12-8(10)11/h3,5H,1-2,4,6H2,(H2,9,13)(H4,10,11,12)/b5-3+
InChIKeyMUBPBZMXUDIFIC-HWKANZROSA-N
XLogP-0.53
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,8Z)-undeca-2,8-dienamide
CID 87669666
(3S)-3-[8-(diaminomethylideneamino)oct-2-enoylamino]-4-oxobutanoic acid
CID 173254013
octa-2,7-dienamide
CID 166513974
(E)-7-oxohept-2-enamide
CID 153402792
(E)-12-amino-12-oxododec-10-enoic acid
CID 87055158
docosa-2,13-dienamide
CID 91597038
hept-2-enamide;dihydrochloride
CID 142841404
trideca-2,6-dienamide
CID 163862607
7-(dipropylamino)hept-2-enamide
CID 173402541
5-(diaminomethylideneamino)-N-methylpentanamide
CID 122591455
2-(4-aminobutyl)guanidine
CID 22560045
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819

Frequently Asked Questions

What is the IUPAC name of (E)-7-(diaminomethylideneamino)hept-2-enamide?
The IUPAC name of (E)-7-(diaminomethylideneamino)hept-2-enamide (CID 13273202) is (E)-7-(diaminomethylideneamino)hept-2-enamide.
What is the SMILES notation for (E)-7-(diaminomethylideneamino)hept-2-enamide?
The canonical SMILES for (E)-7-(diaminomethylideneamino)hept-2-enamide is NC(=O)/C=C/CCCCN=C(N)N.
What is the InChIKey of (E)-7-(diaminomethylideneamino)hept-2-enamide?
The InChIKey is MUBPBZMXUDIFIC-HWKANZROSA-N. The full InChI is InChI=1S/C8H16N4O/c9-7(13)5-3-1-2-4-6-12-8(10)11/h3,5H,1-2,4,6H2,(H2,9,13)(H4,10,11,12)/b5-3+.
What are the key properties of (E)-7-(diaminomethylideneamino)hept-2-enamide?
(E)-7-(diaminomethylideneamino)hept-2-enamide has a molecular weight of 184.24 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-(diaminomethylideneamino)hept-2-enamide is sourced from PubChem (CID 13273202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).