(3E)-N,N,2-trimethylpenta-1,3-dien-3-amine

C8H15N — CID 135214583

IUPAC(3E)-N,N,2-trimethylpenta-1,3-dien-3-amine
SMILESC=C(C)/C(=C\C)N(C)C
InChIInChI=1S/C8H15N/c1-6-8(7(2)3)9(4)5/h6H,2H2,1,3-5H3/b8-6+
InChIKeyZBDSOJVKJXQBCC-SOFGYWHQSA-N
MW125.21 g/mol
LogP2.03
Rot. Bonds2

About (3E)-N,N,2-trimethylpenta-1,3-dien-3-amine

(3E)-N,N,2-trimethylpenta-1,3-dien-3-amine (PubChem CID 135214583) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (3E)-N,N,2-trimethylpenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-N,N,2-trimethylpenta-1,3-dien-3-amine
PubChem CID135214583
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(3E)-N,N,2-trimethylpenta-1,3-dien-3-amine
SMILESC=C(C)/C(=C\C)N(C)C
InChIInChI=1S/C8H15N/c1-6-8(7(2)3)9(4)5/h6H,2H2,1,3-5H3/b8-6+
InChIKeyZBDSOJVKJXQBCC-SOFGYWHQSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.03
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

N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene
CID 162280666
N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide
CID 143409642
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene
CID 159548709
2-(dimethylamino)but-2-enoyl chloride
CID 91035516
(E)-3-(dimethylamino)-2-prop-1-en-2-ylbut-2-enal
CID 89489100
methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide
CID 158640879
2-(dimethylamino)but-2-enamide;hydrochloride
CID 160636398
ethyl (2Z,4E)-2-acetyl-5-(dimethylamino)-6-methylhepta-2,4,6-trienoate
CID 2254858
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
(2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine
CID 144795930

Frequently Asked Questions

What is the IUPAC name of (3E)-N,N,2-trimethylpenta-1,3-dien-3-amine?
The IUPAC name of (3E)-N,N,2-trimethylpenta-1,3-dien-3-amine (CID 135214583) is (3E)-N,N,2-trimethylpenta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-N,N,2-trimethylpenta-1,3-dien-3-amine?
The canonical SMILES for (3E)-N,N,2-trimethylpenta-1,3-dien-3-amine is C=C(C)/C(=C\C)N(C)C.
What is the InChIKey of (3E)-N,N,2-trimethylpenta-1,3-dien-3-amine?
The InChIKey is ZBDSOJVKJXQBCC-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15N/c1-6-8(7(2)3)9(4)5/h6H,2H2,1,3-5H3/b8-6+.
What are the key properties of (3E)-N,N,2-trimethylpenta-1,3-dien-3-amine?
(3E)-N,N,2-trimethylpenta-1,3-dien-3-amine has a molecular weight of 125.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,N,2-trimethylpenta-1,3-dien-3-amine is sourced from PubChem (CID 135214583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).