(3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine

C8H14N2 — CID 143259256

IUPAC(3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine
SMILESC=C/C(=C\C=N\C)N(C)C
InChIInChI=1S/C8H14N2/c1-5-8(10(3)4)6-7-9-2/h5-7H,1H2,2-4H3/b8-6+,9-7+
InChIKeyQQRPYLQURMQUPM-CDJQDVQCSA-N
MW138.21 g/mol
LogP1.32
Rot. Bonds3

About (3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine

(3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine (PubChem CID 143259256) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine
PubChem CID143259256
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine
SMILESC=C/C(=C\C=N\C)N(C)C
InChIInChI=1S/C8H14N2/c1-5-8(10(3)4)6-7-9-2/h5-7H,1H2,2-4H3/b8-6+,9-7+
InChIKeyQQRPYLQURMQUPM-CDJQDVQCSA-N
XLogP1.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.32
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

(1E)-N,N-dimethyl-1-pyrrol-2-ylidenemethanamine
CID 13864872
7H-pyrrolo[1,2-a][1,4]diazepine
CID 21462556
Pyrido[1,2-d][1,4]diazepine
CID 129873038
(3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine
CID 145318835
N-[(2E,4E)-5-(dimethylamino)penta-2,4-dien-1-ylidene]-N-methylmethanaminium
CID 638325
[(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium
CID 13081060
7-(Dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium
CID 23278995
Methanaminium, N-[5-(dimethylamino)-2,4-pentadienylidene]-N-methyl-
CID 17267
[(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 12908324
[(Z)-3-(dimethylamino)but-2-enylidene]-dimethylazanium
CID 21132459
6-Dimethylamino-1-azafulvene
CID 54170759
2-Ethylidenepyrrole
CID 54219721

Frequently Asked Questions

What is the IUPAC name of (3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine?
The IUPAC name of (3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine (CID 143259256) is (3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine?
The canonical SMILES for (3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine is C=C/C(=C\C=N\C)N(C)C.
What is the InChIKey of (3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine?
The InChIKey is QQRPYLQURMQUPM-CDJQDVQCSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-8(10(3)4)6-7-9-2/h5-7H,1H2,2-4H3/b8-6+,9-7+.
What are the key properties of (3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine?
(3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine has a molecular weight of 138.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine is sourced from PubChem (CID 143259256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).