N'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide

C8H15N3 — CID 145422883

IUPACN'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide
SMILESC=C(C)C(/N=C(\C)N)=C(\C)N
InChIInChI=1S/C8H15N3/c1-5(2)8(6(3)9)11-7(4)10/h1,9H2,2-4H3,(H2,10,11)/b8-6-
InChIKeyDYQNBYPATLVZGZ-VURMDHGXSA-N
MW153.23 g/mol
LogP1.13
Rot. Bonds2

About N'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide

N'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide (PubChem CID 145422883) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide
PubChem CID145422883
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide
SMILESC=C(C)C(/N=C(\C)N)=C(\C)N
InChIInChI=1S/C8H15N3/c1-5(2)8(6(3)9)11-7(4)10/h1,9H2,2-4H3,(H2,10,11)/b8-6-
InChIKeyDYQNBYPATLVZGZ-VURMDHGXSA-N
XLogP1.13
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.13
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'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide?
The IUPAC name of N'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide (CID 145422883) is N'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide.
What is the SMILES notation for N'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide?
The canonical SMILES for N'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide is C=C(C)C(/N=C(\C)N)=C(\C)N.
What is the InChIKey of N'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide?
The InChIKey is DYQNBYPATLVZGZ-VURMDHGXSA-N. The full InChI is InChI=1S/C8H15N3/c1-5(2)8(6(3)9)11-7(4)10/h1,9H2,2-4H3,(H2,10,11)/b8-6-.
What are the key properties of N'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide?
N'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide is sourced from PubChem (CID 145422883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).