(1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine

C12H18N2 — CID 89224636

IUPAC(1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine
SMILESC=C/C=C\C(=C/N)C(=C)/C=C/N(C)C
InChIInChI=1S/C12H18N2/c1-5-6-7-12(10-13)11(2)8-9-14(3)4/h5-10H,1-2,13H2,3-4H3/b7-6-,9-8+,12-10+
InChIKeyBNTLGCAQMKHCGC-LDGIAWRLSA-N
MW190.29 g/mol
LogP2.20
Rot. Bonds5

About (1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine

(1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine (PubChem CID 89224636) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine.

Molecular Properties

Compound Name(1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine
PubChem CID89224636
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine
SMILESC=C/C=C\C(=C/N)C(=C)/C=C/N(C)C
InChIInChI=1S/C12H18N2/c1-5-6-7-12(10-13)11(2)8-9-14(3)4/h5-10H,1-2,13H2,3-4H3/b7-6-,9-8+,12-10+
InChIKeyBNTLGCAQMKHCGC-LDGIAWRLSA-N
XLogP2.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.20
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 (1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine?
The IUPAC name of (1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine (CID 89224636) is (1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine.
What is the SMILES notation for (1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine?
The canonical SMILES for (1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine is C=C/C=C\C(=C/N)C(=C)/C=C/N(C)C.
What is the InChIKey of (1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine?
The InChIKey is BNTLGCAQMKHCGC-LDGIAWRLSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-6-7-12(10-13)11(2)8-9-14(3)4/h5-10H,1-2,13H2,3-4H3/b7-6-,9-8+,12-10+.
What are the key properties of (1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine?
(1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine is sourced from PubChem (CID 89224636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).