(Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine

C9H16N2 — CID 89218687

IUPAC(Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine
SMILESC=C/C(C)=C(\C=C/N)CNC
InChIInChI=1S/C9H16N2/c1-4-8(2)9(5-6-10)7-11-3/h4-6,11H,1,7,10H2,2-3H3/b6-5-,9-8+
InChIKeyMSAVODWKTXOXDQ-UEPDSTOUSA-N
MW152.24 g/mol
LogP1.18
Rot. Bonds4

About (Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine

(Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine (PubChem CID 89218687) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine
PubChem CID89218687
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine
SMILESC=C/C(C)=C(\C=C/N)CNC
InChIInChI=1S/C9H16N2/c1-4-8(2)9(5-6-10)7-11-3/h4-6,11H,1,7,10H2,2-3H3/b6-5-,9-8+
InChIKeyMSAVODWKTXOXDQ-UEPDSTOUSA-N
XLogP1.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.18
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,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine?
The IUPAC name of (Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine (CID 89218687) is (Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine.
What is the SMILES notation for (Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine?
The canonical SMILES for (Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine is C=C/C(C)=C(\C=C/N)CNC.
What is the InChIKey of (Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine?
The InChIKey is MSAVODWKTXOXDQ-UEPDSTOUSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8(2)9(5-6-10)7-11-3/h4-6,11H,1,7,10H2,2-3H3/b6-5-,9-8+.
What are the key properties of (Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine?
(Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine is sourced from PubChem (CID 89218687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).