(3E)-N,N-dimethylhexa-3,5-dien-3-amine

C8H15N — CID 13112058

IUPAC(3E)-N,N-dimethylhexa-3,5-dien-3-amine
SMILESCC/C(=C\C=C)/N(C)C
InChIInChI=1S/C8H15N/c1-5-7-8(6-2)9(3)4/h5,7H,1,6H2,2-4H3/b8-7+
InChIKeyGMRWMFIWTPVVHT-BQYQJAHWSA-N
MW125.21 g/mol
LogP2.40
Rot. Bonds3

About (3E)-N,N-dimethylhexa-3,5-dien-3-amine

(3E)-N,N-dimethylhexa-3,5-dien-3-amine (PubChem CID 13112058) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (3E)-N,N-dimethylhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E)-N,N-dimethylhexa-3,5-dien-3-amine
PubChem CID13112058
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(3E)-N,N-dimethylhexa-3,5-dien-3-amine
SMILESCC/C(=C\C=C)/N(C)C
InChIInChI=1S/C8H15N/c1-5-7-8(6-2)9(3)4/h5,7H,1,6H2,2-4H3/b8-7+
InChIKeyGMRWMFIWTPVVHT-BQYQJAHWSA-N
XLogP2.40
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity112

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N,N-dimethylhexa-3,5-dien-3-amine?
The IUPAC name of (3E)-N,N-dimethylhexa-3,5-dien-3-amine (CID 13112058) is (3E)-N,N-dimethylhexa-3,5-dien-3-amine.
What is the SMILES notation for (3E)-N,N-dimethylhexa-3,5-dien-3-amine?
The canonical SMILES for (3E)-N,N-dimethylhexa-3,5-dien-3-amine is CC/C(=C\C=C)/N(C)C.
What is the InChIKey of (3E)-N,N-dimethylhexa-3,5-dien-3-amine?
The InChIKey is GMRWMFIWTPVVHT-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7-8(6-2)9(3)4/h5,7H,1,6H2,2-4H3/b8-7+.
What are the key properties of (3E)-N,N-dimethylhexa-3,5-dien-3-amine?
(3E)-N,N-dimethylhexa-3,5-dien-3-amine has a molecular weight of 125.21 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,N-dimethylhexa-3,5-dien-3-amine is sourced from PubChem (CID 13112058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).