(Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine

C8H14N2 — CID 126614791

IUPAC(Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine
SMILESC=CC(=C)N/C=C\N(C)C
InChIInChI=1S/C8H14N2/c1-5-8(2)9-6-7-10(3)4/h5-7,9H,1-2H2,3-4H3/b7-6-
InChIKeyPYTLLKBNYDSFKA-SREVYHEPSA-N
MW138.21 g/mol
LogP1.31
Rot. Bonds4

About (Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine

(Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine (PubChem CID 126614791) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine
PubChem CID126614791
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine
SMILESC=CC(=C)N/C=C\N(C)C
InChIInChI=1S/C8H14N2/c1-5-8(2)9-6-7-10(3)4/h5-7,9H,1-2H2,3-4H3/b7-6-
InChIKeyPYTLLKBNYDSFKA-SREVYHEPSA-N
XLogP1.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
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)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine?
The IUPAC name of (Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine (CID 126614791) is (Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine.
What is the SMILES notation for (Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine?
The canonical SMILES for (Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine is C=CC(=C)N/C=C\N(C)C.
What is the InChIKey of (Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine?
The InChIKey is PYTLLKBNYDSFKA-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-8(2)9-6-7-10(3)4/h5-7,9H,1-2H2,3-4H3/b7-6-.
What are the key properties of (Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine?
(Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine has a molecular weight of 138.21 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine is sourced from PubChem (CID 126614791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).