(2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine

C14H27N — CID 6243343

IUPAC(2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine
SMILESCCN(CC)C/C=C(/C)CCC=C(C)C
InChIInChI=1S/C14H27N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11-
InChIKeyXDEJHXKVKISANH-KAMYIIQDSA-N
MW209.38 g/mol
LogP4.02
Rot. Bonds7

About (2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine

(2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 6243343) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID6243343
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine
SMILESCCN(CC)C/C=C(/C)CCC=C(C)C
InChIInChI=1S/C14H27N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11-
InChIKeyXDEJHXKVKISANH-KAMYIIQDSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.02
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 (2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of (2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine (CID 6243343) is (2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for (2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for (2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine is CCN(CC)C/C=C(/C)CCC=C(C)C.
What is the InChIKey of (2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is XDEJHXKVKISANH-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H27N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11-.
What are the key properties of (2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine?
(2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 209.38 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 6243343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).