(Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine

C9H16N2 — CID 89120824

IUPAC(Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine
SMILESC=C(C)/C=C(\C=C(\C)N)CN
InChIInChI=1S/C9H16N2/c1-7(2)4-9(6-10)5-8(3)11/h4-5H,1,6,10-11H2,2-3H3/b8-5-,9-4+
InChIKeyJKVVSUKHACICRI-JDNPHIJCSA-N
MW152.24 g/mol
LogP1.31
Rot. Bonds3

About (Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine

(Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine (PubChem CID 89120824) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine
PubChem CID89120824
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine
SMILESC=C(C)/C=C(\C=C(\C)N)CN
InChIInChI=1S/C9H16N2/c1-7(2)4-9(6-10)5-8(3)11/h4-5H,1,6,10-11H2,2-3H3/b8-5-,9-4+
InChIKeyJKVVSUKHACICRI-JDNPHIJCSA-N
XLogP1.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine?
The IUPAC name of (Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine (CID 89120824) is (Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine.
What is the SMILES notation for (Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine?
The canonical SMILES for (Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine is C=C(C)/C=C(\C=C(\C)N)CN.
What is the InChIKey of (Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine?
The InChIKey is JKVVSUKHACICRI-JDNPHIJCSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)4-9(6-10)5-8(3)11/h4-5H,1,6,10-11H2,2-3H3/b8-5-,9-4+.
What are the key properties of (Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine?
(Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine is sourced from PubChem (CID 89120824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).