(E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine

C16H32AlN — CID 16705582

IUPAC(E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine
SMILESCCN(CC)C/C=C/CCCC1CC[Al](CC)C1
InChIInChI=1S/C14H27N.C2H5.Al/c1-5-14(4)12-10-8-9-11-13-15(6-2)7-3;1-2;/h9,11,14H,1,4-8,10,12-13H2,2-3H3;1H2,2H3;/b11-9+;;
InChIKeyYNYZLJXQNMEKSC-OTBYXNOXSA-N
MW265.42 g/mol
LogP4.59
Rot. Bonds9

About (E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine

(E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine (PubChem CID 16705582) has the molecular formula C16H32AlN and a molecular weight of 265.42 g/mol. Its IUPAC name is (E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine
PubChem CID16705582
Molecular FormulaC16H32AlN
Molecular Weight265.42 g/mol
Exact Mass265.24
IUPAC Name(E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine
SMILESCCN(CC)C/C=C/CCCC1CC[Al](CC)C1
InChIInChI=1S/C14H27N.C2H5.Al/c1-5-14(4)12-10-8-9-11-13-15(6-2)7-3;1-2;/h9,11,14H,1,4-8,10,12-13H2,2-3H3;1H2,2H3;/b11-9+;;
InChIKeyYNYZLJXQNMEKSC-OTBYXNOXSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine (CID 16705582) is (E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine is CCN(CC)C/C=C/CCCC1CC[Al](CC)C1.
What is the InChIKey of (E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine?
The InChIKey is YNYZLJXQNMEKSC-OTBYXNOXSA-N. The full InChI is InChI=1S/C14H27N.C2H5.Al/c1-5-14(4)12-10-8-9-11-13-15(6-2)7-3;1-2;/h9,11,14H,1,4-8,10,12-13H2,2-3H3;1H2,2H3;/b11-9+;;.
What are the key properties of (E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine?
(E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine is sourced from PubChem (CID 16705582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).