(3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine

C7H12N2 — CID 126486729

IUPAC(3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine
SMILESC=N/C=C\C(=C)N(C)C
InChIInChI=1S/C7H12N2/c1-7(9(3)4)5-6-8-2/h5-6H,1-2H2,3-4H3/b6-5-
InChIKeyYLVRWCKJDDTYFN-WAYWQWQTSA-N
MW124.19 g/mol
LogP1.28
Rot. Bonds3

About (3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine

(3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine (PubChem CID 126486729) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine
PubChem CID126486729
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine
SMILESC=N/C=C\C(=C)N(C)C
InChIInChI=1S/C7H12N2/c1-7(9(3)4)5-6-8-2/h5-6H,1-2H2,3-4H3/b6-5-
InChIKeyYLVRWCKJDDTYFN-WAYWQWQTSA-N
XLogP1.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-6-methylidene-1,6-dihydropyrimidine
CID 57831095
1-Methyl-4-methylidenepyrimidine
CID 57672168
1-Ethyl-4-methylidenepyrimidine
CID 57672220
methyl-methylidene-[(E)-prop-1-enyl]azanium
CID 57677014
[(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium
CID 59733888
Methyl-methylidene-prop-1-enylazanium
CID 76590121
1-Dimethylamino-1-aza-3-isopropyl-1,3-butadiene
CID 86743902
(1Z)-1-N,1-N,2-N,2-N-tetramethylbuta-1,3-diene-1,2-diamine
CID 87430174
N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-2-amine
CID 91141901
N-ethenyl-N-methylbuta-1,3-dien-2-amine
CID 118612486
N-[3-(methylideneamino)buta-1,3-dienyl]methanimine
CID 123318093
4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine
CID 123366460

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine?
The IUPAC name of (3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine (CID 126486729) is (3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine is C=N/C=C\C(=C)N(C)C.
What is the InChIKey of (3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine?
The InChIKey is YLVRWCKJDDTYFN-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(9(3)4)5-6-8-2/h5-6H,1-2H2,3-4H3/b6-5-.
What are the key properties of (3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine?
(3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine is sourced from PubChem (CID 126486729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).