(E)-3-methanimidoyl-2-methylpent-3-en-2-amine

C7H14N2 — CID 163939449

IUPAC(E)-3-methanimidoyl-2-methylpent-3-en-2-amine
SMILES[H]/N=C/C(=C/C)C(C)(C)N
InChIInChI=1S/C7H14N2/c1-4-6(5-8)7(2,3)9/h4-5,8H,9H2,1-3H3/b6-4-,8-5+
InChIKeyRPSSRWRFUGEXCQ-QXMOYCCXSA-N
MW126.20 g/mol
LogP1.32
Rot. Bonds2

About (E)-3-methanimidoyl-2-methylpent-3-en-2-amine

(E)-3-methanimidoyl-2-methylpent-3-en-2-amine (PubChem CID 163939449) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-3-methanimidoyl-2-methylpent-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-methanimidoyl-2-methylpent-3-en-2-amine
PubChem CID163939449
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(E)-3-methanimidoyl-2-methylpent-3-en-2-amine
SMILES[H]/N=C/C(=C/C)C(C)(C)N
InChIInChI=1S/C7H14N2/c1-4-6(5-8)7(2,3)9/h4-5,8H,9H2,1-3H3/b6-4-,8-5+
InChIKeyRPSSRWRFUGEXCQ-QXMOYCCXSA-N
XLogP1.32
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.32
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)-3-methanimidoyl-2-methylpent-3-en-2-amine?
The IUPAC name of (E)-3-methanimidoyl-2-methylpent-3-en-2-amine (CID 163939449) is (E)-3-methanimidoyl-2-methylpent-3-en-2-amine.
What is the SMILES notation for (E)-3-methanimidoyl-2-methylpent-3-en-2-amine?
The canonical SMILES for (E)-3-methanimidoyl-2-methylpent-3-en-2-amine is [H]/N=C/C(=C/C)C(C)(C)N.
What is the InChIKey of (E)-3-methanimidoyl-2-methylpent-3-en-2-amine?
The InChIKey is RPSSRWRFUGEXCQ-QXMOYCCXSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-6(5-8)7(2,3)9/h4-5,8H,9H2,1-3H3/b6-4-,8-5+.
What are the key properties of (E)-3-methanimidoyl-2-methylpent-3-en-2-amine?
(E)-3-methanimidoyl-2-methylpent-3-en-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methanimidoyl-2-methylpent-3-en-2-amine is sourced from PubChem (CID 163939449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).