(Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine

C10H18N2 — CID 89170044

IUPAC(Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine
SMILESC=C(CC(C)C)/N=C/C=C(/C)N
InChIInChI=1S/C10H18N2/c1-8(2)7-10(4)12-6-5-9(3)11/h5-6,8H,4,7,11H2,1-3H3/b9-5-,12-6+
InChIKeyYXCJJXSQFBOQTD-JBSCERNYSA-N
MW166.27 g/mol
LogP2.48
Rot. Bonds4

About (Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine

(Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine (PubChem CID 89170044) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine
PubChem CID89170044
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine
SMILESC=C(CC(C)C)/N=C/C=C(/C)N
InChIInChI=1S/C10H18N2/c1-8(2)7-10(4)12-6-5-9(3)11/h5-6,8H,4,7,11H2,1-3H3/b9-5-,12-6+
InChIKeyYXCJJXSQFBOQTD-JBSCERNYSA-N
XLogP2.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
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 (Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine?
The IUPAC name of (Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine (CID 89170044) is (Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine.
What is the SMILES notation for (Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine?
The canonical SMILES for (Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine is C=C(CC(C)C)/N=C/C=C(/C)N.
What is the InChIKey of (Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine?
The InChIKey is YXCJJXSQFBOQTD-JBSCERNYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)7-10(4)12-6-5-9(3)11/h5-6,8H,4,7,11H2,1-3H3/b9-5-,12-6+.
What are the key properties of (Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine?
(Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine has a molecular weight of 166.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine is sourced from PubChem (CID 89170044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).