N,N-diethyl-5-methylhexa-1,3,5-trien-2-amine

C11H19N — CID 123425497

IUPACN,N-diethyl-5-methylhexa-1,3,5-trien-2-amine
SMILESC=C(C)C=CC(=C)N(CC)CC
InChIInChI=1S/C11H19N/c1-6-12(7-2)11(5)9-8-10(3)4/h8-9H,3,5-7H2,1-2,4H3
InChIKeyBERKKPHKUTVAFP-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.97
Rot. Bonds5

About N,N-diethyl-5-methylhexa-1,3,5-trien-2-amine

N,N-diethyl-5-methylhexa-1,3,5-trien-2-amine (PubChem CID 123425497) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N,N-diethyl-5-methylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-methylhexa-1,3,5-trien-2-amine
PubChem CID123425497
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN,N-diethyl-5-methylhexa-1,3,5-trien-2-amine
SMILESC=C(C)C=CC(=C)N(CC)CC
InChIInChI=1S/C11H19N/c1-6-12(7-2)11(5)9-8-10(3)4/h8-9H,3,5-7H2,1-2,4H3
InChIKeyBERKKPHKUTVAFP-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.97
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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methylhexa-1,3,5-trien-2-amine?
The IUPAC name of N,N-diethyl-5-methylhexa-1,3,5-trien-2-amine (CID 123425497) is N,N-diethyl-5-methylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for N,N-diethyl-5-methylhexa-1,3,5-trien-2-amine?
The canonical SMILES for N,N-diethyl-5-methylhexa-1,3,5-trien-2-amine is C=C(C)C=CC(=C)N(CC)CC.
What is the InChIKey of N,N-diethyl-5-methylhexa-1,3,5-trien-2-amine?
The InChIKey is BERKKPHKUTVAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-12(7-2)11(5)9-8-10(3)4/h8-9H,3,5-7H2,1-2,4H3.
What are the key properties of N,N-diethyl-5-methylhexa-1,3,5-trien-2-amine?
N,N-diethyl-5-methylhexa-1,3,5-trien-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 123425497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).