N,N-dimethylhexa-3,5-dien-1-amine

C8H15N — CID 123595184

IUPACN,N-dimethylhexa-3,5-dien-1-amine
SMILESC=CC=CCCN(C)C
InChIInChI=1S/C8H15N/c1-4-5-6-7-8-9(2)3/h4-6H,1,7-8H2,2-3H3
InChIKeyCYSOGFHJPSZCED-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.68
Rot. Bonds4

About N,N-dimethylhexa-3,5-dien-1-amine

N,N-dimethylhexa-3,5-dien-1-amine (PubChem CID 123595184) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N,N-dimethylhexa-3,5-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethylhexa-3,5-dien-1-amine
PubChem CID123595184
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN,N-dimethylhexa-3,5-dien-1-amine
SMILESC=CC=CCCN(C)C
InChIInChI=1S/C8H15N/c1-4-5-6-7-8-9(2)3/h4-6H,1,7-8H2,2-3H3
InChIKeyCYSOGFHJPSZCED-UHFFFAOYSA-N
XLogP1.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.68
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 N,N-dimethylhexa-3,5-dien-1-amine?
The IUPAC name of N,N-dimethylhexa-3,5-dien-1-amine (CID 123595184) is N,N-dimethylhexa-3,5-dien-1-amine.
What is the SMILES notation for N,N-dimethylhexa-3,5-dien-1-amine?
The canonical SMILES for N,N-dimethylhexa-3,5-dien-1-amine is C=CC=CCCN(C)C.
What is the InChIKey of N,N-dimethylhexa-3,5-dien-1-amine?
The InChIKey is CYSOGFHJPSZCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-4-5-6-7-8-9(2)3/h4-6H,1,7-8H2,2-3H3.
What are the key properties of N,N-dimethylhexa-3,5-dien-1-amine?
N,N-dimethylhexa-3,5-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylhexa-3,5-dien-1-amine is sourced from PubChem (CID 123595184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).