ethane;(Z)-N,N,2-trimethyloct-5-en-4-amine

C13H29N — CID 144657764

IUPACethane;(Z)-N,N,2-trimethyloct-5-en-4-amine
SMILESCC.CC/C=C\C(CC(C)C)N(C)C
InChIInChI=1S/C11H23N.C2H6/c1-6-7-8-11(12(4)5)9-10(2)3;1-2/h7-8,10-11H,6,9H2,1-5H3;1-2H3/b8-7-;
InChIKeyWIKGENPBOGZREK-CFYXSCKTSA-N
MW199.38 g/mol
LogP3.96
Rot. Bonds5

About ethane;(Z)-N,N,2-trimethyloct-5-en-4-amine

ethane;(Z)-N,N,2-trimethyloct-5-en-4-amine (PubChem CID 144657764) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is ethane;(Z)-N,N,2-trimethyloct-5-en-4-amine.

Molecular Properties

Compound Nameethane;(Z)-N,N,2-trimethyloct-5-en-4-amine
PubChem CID144657764
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nameethane;(Z)-N,N,2-trimethyloct-5-en-4-amine
SMILESCC.CC/C=C\C(CC(C)C)N(C)C
InChIInChI=1S/C11H23N.C2H6/c1-6-7-8-11(12(4)5)9-10(2)3;1-2/h7-8,10-11H,6,9H2,1-5H3;1-2H3/b8-7-;
InChIKeyWIKGENPBOGZREK-CFYXSCKTSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N,N,2-trimethyloct-5-en-4-amine?
The IUPAC name of ethane;(Z)-N,N,2-trimethyloct-5-en-4-amine (CID 144657764) is ethane;(Z)-N,N,2-trimethyloct-5-en-4-amine.
What is the SMILES notation for ethane;(Z)-N,N,2-trimethyloct-5-en-4-amine?
The canonical SMILES for ethane;(Z)-N,N,2-trimethyloct-5-en-4-amine is CC.CC/C=C\C(CC(C)C)N(C)C.
What is the InChIKey of ethane;(Z)-N,N,2-trimethyloct-5-en-4-amine?
The InChIKey is WIKGENPBOGZREK-CFYXSCKTSA-N. The full InChI is InChI=1S/C11H23N.C2H6/c1-6-7-8-11(12(4)5)9-10(2)3;1-2/h7-8,10-11H,6,9H2,1-5H3;1-2H3/b8-7-;.
What are the key properties of ethane;(Z)-N,N,2-trimethyloct-5-en-4-amine?
ethane;(Z)-N,N,2-trimethyloct-5-en-4-amine has a molecular weight of 199.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N,N,2-trimethyloct-5-en-4-amine is sourced from PubChem (CID 144657764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).