(2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine

C7H12N2 — CID 88849027

IUPAC(2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine
SMILESC=N/C=C\C(C)=C(\C)N
InChIInChI=1S/C7H12N2/c1-6(7(2)8)4-5-9-3/h4-5H,3,8H2,1-2H3/b5-4-,7-6-
InChIKeyBCBDPVRWJGXTQM-RZSVFLSASA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds2

About (2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine

(2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine (PubChem CID 88849027) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine
PubChem CID88849027
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine
SMILESC=N/C=C\C(C)=C(\C)N
InChIInChI=1S/C7H12N2/c1-6(7(2)8)4-5-9-3/h4-5H,3,8H2,1-2H3/b5-4-,7-6-
InChIKeyBCBDPVRWJGXTQM-RZSVFLSASA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine (CID 88849027) is (2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine is C=N/C=C\C(C)=C(\C)N.
What is the InChIKey of (2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine?
The InChIKey is BCBDPVRWJGXTQM-RZSVFLSASA-N. The full InChI is InChI=1S/C7H12N2/c1-6(7(2)8)4-5-9-3/h4-5H,3,8H2,1-2H3/b5-4-,7-6-.
What are the key properties of (2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine?
(2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine is sourced from PubChem (CID 88849027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).