(3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine

C9H16N2 — CID 156532435

IUPAC(3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine
SMILESC=C(N)/C=C\N=C(/C)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(4)11-6-5-8(3)10/h5-7H,3,10H2,1-2,4H3/b6-5-,11-9+
InChIKeyOFLVGDDTUFRKAW-QEYVUMQQSA-N
MW152.24 g/mol
LogP2.09
Rot. Bonds3

About (3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine

(3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine (PubChem CID 156532435) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine
PubChem CID156532435
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine
SMILESC=C(N)/C=C\N=C(/C)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(4)11-6-5-8(3)10/h5-7H,3,10H2,1-2,4H3/b6-5-,11-9+
InChIKeyOFLVGDDTUFRKAW-QEYVUMQQSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.09
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 (3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine?
The IUPAC name of (3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine (CID 156532435) is (3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine is C=C(N)/C=C\N=C(/C)C(C)C.
What is the InChIKey of (3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine?
The InChIKey is OFLVGDDTUFRKAW-QEYVUMQQSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)9(4)11-6-5-8(3)10/h5-7H,3,10H2,1-2,4H3/b6-5-,11-9+.
What are the key properties of (3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine?
(3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine has a molecular weight of 152.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine is sourced from PubChem (CID 156532435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).