ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine

C11H23N — CID 143439563

IUPACethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine
SMILESC=C/C=C(\CC)N(C)CC.CC
InChIInChI=1S/C9H17N.C2H6/c1-5-8-9(6-2)10(4)7-3;1-2/h5,8H,1,6-7H2,2-4H3;1-2H3/b9-8+;
InChIKeyARCKOQUENXQNDY-HRNDJLQDSA-N
MW169.31 g/mol
LogP3.44
Rot. Bonds4

About ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine

ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine (PubChem CID 143439563) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine.

Molecular Properties

Compound Nameethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine
PubChem CID143439563
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine
SMILESC=C/C=C(\CC)N(C)CC.CC
InChIInChI=1S/C9H17N.C2H6/c1-5-8-9(6-2)10(4)7-3;1-2/h5,8H,1,6-7H2,2-4H3;1-2H3/b9-8+;
InChIKeyARCKOQUENXQNDY-HRNDJLQDSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.44
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 ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine?
The IUPAC name of ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine (CID 143439563) is ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine.
What is the SMILES notation for ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine?
The canonical SMILES for ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine is C=C/C=C(\CC)N(C)CC.CC.
What is the InChIKey of ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine?
The InChIKey is ARCKOQUENXQNDY-HRNDJLQDSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-5-8-9(6-2)10(4)7-3;1-2/h5,8H,1,6-7H2,2-4H3;1-2H3/b9-8+;.
What are the key properties of ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine?
ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine has a molecular weight of 169.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine is sourced from PubChem (CID 143439563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).