N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide

C7H13N3 — CID 146660684

IUPACN'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide
SMILESC=C(C)/C(N)=C(C)\N=C\N
InChIInChI=1S/C7H13N3/c1-5(2)7(9)6(3)10-4-8/h4H,1,9H2,2-3H3,(H2,8,10)/b7-6+
InChIKeyDRUOPVJMPOMQQG-VOTSOKGWSA-N
MW139.20 g/mol
LogP0.74
Rot. Bonds2

About N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide

N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide (PubChem CID 146660684) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide
PubChem CID146660684
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide
SMILESC=C(C)/C(N)=C(C)\N=C\N
InChIInChI=1S/C7H13N3/c1-5(2)7(9)6(3)10-4-8/h4H,1,9H2,2-3H3,(H2,8,10)/b7-6+
InChIKeyDRUOPVJMPOMQQG-VOTSOKGWSA-N
XLogP0.74
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide?
The IUPAC name of N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide (CID 146660684) is N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide.
What is the SMILES notation for N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide?
The canonical SMILES for N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide is C=C(C)/C(N)=C(C)\N=C\N.
What is the InChIKey of N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide?
The InChIKey is DRUOPVJMPOMQQG-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(2)7(9)6(3)10-4-8/h4H,1,9H2,2-3H3,(H2,8,10)/b7-6+.
What are the key properties of N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide?
N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide is sourced from PubChem (CID 146660684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).