(1E)-N,N,3-trimethylbuta-1,3-dien-1-amine

C7H13N — CID 118368990

IUPAC(1E)-N,N,3-trimethylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C/N(C)C
InChIInChI=1S/C7H13N/c1-7(2)5-6-8(3)4/h5-6H,1H2,2-4H3/b6-5+
InChIKeyGCYZHKOUSUAYAI-AATRIKPKSA-N
MW111.19 g/mol
LogP1.64
Rot. Bonds2

About (1E)-N,N,3-trimethylbuta-1,3-dien-1-amine

(1E)-N,N,3-trimethylbuta-1,3-dien-1-amine (PubChem CID 118368990) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1E)-N,N,3-trimethylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N,N,3-trimethylbuta-1,3-dien-1-amine
PubChem CID118368990
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1E)-N,N,3-trimethylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C/N(C)C
InChIInChI=1S/C7H13N/c1-7(2)5-6-8(3)4/h5-6H,1H2,2-4H3/b6-5+
InChIKeyGCYZHKOUSUAYAI-AATRIKPKSA-N
XLogP1.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethylamino-1-butene
CID 5365214
Pyridine, 1,4-dihydro-1-methyl-
CID 141818
Dimethylaminobutadiene
CID 12517245
1-Methyl-4-methylene-1,4-dihydropyridine
CID 23534281
1-ethyl-4H-pyridine
CID 12220925
1,4-Dihydro-1,4-dimethylpyridine
CID 12220928
1,4-Dimethyl-1,2-dihydropyridine
CID 13496664
dimethyl-[(E)-3-methyl-but-1-enyl]-amine
CID 13611575
n-Methyl-4-vinylpyridine
CID 22463631
1-(N,N-Dimethylamino)-1,3-butadien
CID 54019795
Pentenyldimethylamin
CID 74010656
(1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
CID 88860697

Frequently Asked Questions

What is the IUPAC name of (1E)-N,N,3-trimethylbuta-1,3-dien-1-amine?
The IUPAC name of (1E)-N,N,3-trimethylbuta-1,3-dien-1-amine (CID 118368990) is (1E)-N,N,3-trimethylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N,N,3-trimethylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N,N,3-trimethylbuta-1,3-dien-1-amine is C=C(C)/C=C/N(C)C.
What is the InChIKey of (1E)-N,N,3-trimethylbuta-1,3-dien-1-amine?
The InChIKey is GCYZHKOUSUAYAI-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13N/c1-7(2)5-6-8(3)4/h5-6H,1H2,2-4H3/b6-5+.
What are the key properties of (1E)-N,N,3-trimethylbuta-1,3-dien-1-amine?
(1E)-N,N,3-trimethylbuta-1,3-dien-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N,3-trimethylbuta-1,3-dien-1-amine is sourced from PubChem (CID 118368990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).