(E)-2-imino-3-methylpent-3-en-1-amine

C6H12N2 — CID 170222558

IUPAC(E)-2-imino-3-methylpent-3-en-1-amine
SMILES[H]/N=C(CN)/C(C)=C/C
InChIInChI=1S/C6H12N2/c1-3-5(2)6(8)4-7/h3,8H,4,7H2,1-2H3/b5-3+,8-6+
InChIKeyQHAVVPUQPSBCSX-QFXXITGJSA-N
MW112.18 g/mol
LogP0.93
Rot. Bonds2

About (E)-2-imino-3-methylpent-3-en-1-amine

(E)-2-imino-3-methylpent-3-en-1-amine (PubChem CID 170222558) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (E)-2-imino-3-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-2-imino-3-methylpent-3-en-1-amine
PubChem CID170222558
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(E)-2-imino-3-methylpent-3-en-1-amine
SMILES[H]/N=C(CN)/C(C)=C/C
InChIInChI=1S/C6H12N2/c1-3-5(2)6(8)4-7/h3,8H,4,7H2,1-2H3/b5-3+,8-6+
InChIKeyQHAVVPUQPSBCSX-QFXXITGJSA-N
XLogP0.93
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-imino-3-methylpent-3-en-1-amine?
The IUPAC name of (E)-2-imino-3-methylpent-3-en-1-amine (CID 170222558) is (E)-2-imino-3-methylpent-3-en-1-amine.
What is the SMILES notation for (E)-2-imino-3-methylpent-3-en-1-amine?
The canonical SMILES for (E)-2-imino-3-methylpent-3-en-1-amine is [H]/N=C(CN)/C(C)=C/C.
What is the InChIKey of (E)-2-imino-3-methylpent-3-en-1-amine?
The InChIKey is QHAVVPUQPSBCSX-QFXXITGJSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-5(2)6(8)4-7/h3,8H,4,7H2,1-2H3/b5-3+,8-6+.
What are the key properties of (E)-2-imino-3-methylpent-3-en-1-amine?
(E)-2-imino-3-methylpent-3-en-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-imino-3-methylpent-3-en-1-amine is sourced from PubChem (CID 170222558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).