(E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine

C7H13N3 — CID 166982298

IUPAC(E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine
SMILESC=N/C(C)=C(N)\C(C)=N\C
InChIInChI=1S/C7H13N3/c1-5(9-3)7(8)6(2)10-4/h3,8H2,1-2,4H3/b7-5+,10-6+
InChIKeyAJHWOVWNDWSGQP-YLNKAEQOSA-N
MW139.20 g/mol
LogP0.97
Rot. Bonds2

About (E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine

(E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine (PubChem CID 166982298) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine.

Molecular Properties

Compound Name(E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine
PubChem CID166982298
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine
SMILESC=N/C(C)=C(N)\C(C)=N\C
InChIInChI=1S/C7H13N3/c1-5(9-3)7(8)6(2)10-4/h3,8H2,1-2,4H3/b7-5+,10-6+
InChIKeyAJHWOVWNDWSGQP-YLNKAEQOSA-N
XLogP0.97
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(methylideneamino)-4-methyliminopent-2-en-3-amine?
The IUPAC name of (E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine (CID 166982298) is (E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine.
What is the SMILES notation for (E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine?
The canonical SMILES for (E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine is C=N/C(C)=C(N)\C(C)=N\C.
What is the InChIKey of (E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine?
The InChIKey is AJHWOVWNDWSGQP-YLNKAEQOSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(9-3)7(8)6(2)10-4/h3,8H2,1-2,4H3/b7-5+,10-6+.
What are the key properties of (E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine?
(E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine has a molecular weight of 139.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine is sourced from PubChem (CID 166982298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).