(E)-N-(diaminomethylidene)-2-methylpent-2-enamide

C7H13N3O — CID 90783206

IUPAC(E)-N-(diaminomethylidene)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)N=C(N)N
InChIInChI=1S/C7H13N3O/c1-3-4-5(2)6(11)10-7(8)9/h4H,3H2,1-2H3,(H4,8,9,10,11)/b5-4+
InChIKeyLARKLQUKWBBDBJ-SNAWJCMRSA-N
MW155.20 g/mol
LogP0.14
Rot. Bonds2

About (E)-N-(diaminomethylidene)-2-methylpent-2-enamide

(E)-N-(diaminomethylidene)-2-methylpent-2-enamide (PubChem CID 90783206) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-N-(diaminomethylidene)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(diaminomethylidene)-2-methylpent-2-enamide
PubChem CID90783206
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(E)-N-(diaminomethylidene)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)N=C(N)N
InChIInChI=1S/C7H13N3O/c1-3-4-5(2)6(11)10-7(8)9/h4H,3H2,1-2H3,(H4,8,9,10,11)/b5-4+
InChIKeyLARKLQUKWBBDBJ-SNAWJCMRSA-N
XLogP0.14
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

2-methylpent-2-enamide
CID 66895957
(E)-2-methylpent-2-enethioate
CID 6365955
N,N-dimethylethanamine;2-methylpent-2-enamide
CID 172721563
(E)-2-methylpent-2-enoate
CID 7006461
CID 158703292
CID 158703292
carbamoyl 2-methylpent-2-eneperoxoate
CID 173435442
(Z)-2-(1-aminoethylideneamino)pent-2-enoic acid
CID 139576680
ethyl (E)-2-methylpent-2-enoate
CID 6436311
(carbamoylamino) 2-methylpent-2-enoate
CID 173054896
2,4-dimethylhepta-2,4-dienamide
CID 90684610
hydroxymethyl (E)-2-methylpent-2-enoate
CID 90459718
N'-[(E)-pent-2-en-2-yl]ethanimidamide
CID 123500479

Frequently Asked Questions

What is the IUPAC name of (E)-N-(diaminomethylidene)-2-methylpent-2-enamide?
The IUPAC name of (E)-N-(diaminomethylidene)-2-methylpent-2-enamide (CID 90783206) is (E)-N-(diaminomethylidene)-2-methylpent-2-enamide.
What is the SMILES notation for (E)-N-(diaminomethylidene)-2-methylpent-2-enamide?
The canonical SMILES for (E)-N-(diaminomethylidene)-2-methylpent-2-enamide is CC/C=C(\C)C(=O)N=C(N)N.
What is the InChIKey of (E)-N-(diaminomethylidene)-2-methylpent-2-enamide?
The InChIKey is LARKLQUKWBBDBJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-4-5(2)6(11)10-7(8)9/h4H,3H2,1-2H3,(H4,8,9,10,11)/b5-4+.
What are the key properties of (E)-N-(diaminomethylidene)-2-methylpent-2-enamide?
(E)-N-(diaminomethylidene)-2-methylpent-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(diaminomethylidene)-2-methylpent-2-enamide is sourced from PubChem (CID 90783206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).