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

C14H27N — CID 12807205

IUPAC(2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine
SMILESC=CC(C)CC/C=C(\C)CN(CC)CC
InChIInChI=1S/C14H27N/c1-6-13(4)10-9-11-14(5)12-15(7-2)8-3/h6,11,13H,1,7-10,12H2,2-5H3/b14-11+
InChIKeyDWWXKQADNQHIIE-SDNWHVSQSA-N
MW209.38 g/mol
LogP3.88
Rot. Bonds8

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

(2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine (PubChem CID 12807205) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine.

Molecular Properties

Compound Name(2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine
PubChem CID12807205
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine
SMILESC=CC(C)CC/C=C(\C)CN(CC)CC
InChIInChI=1S/C14H27N/c1-6-13(4)10-9-11-14(5)12-15(7-2)8-3/h6,11,13H,1,7-10,12H2,2-5H3/b14-11+
InChIKeyDWWXKQADNQHIIE-SDNWHVSQSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.88
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 (2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine?
The IUPAC name of (2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine (CID 12807205) is (2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine.
What is the SMILES notation for (2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine?
The canonical SMILES for (2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine is C=CC(C)CC/C=C(\C)CN(CC)CC.
What is the InChIKey of (2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine?
The InChIKey is DWWXKQADNQHIIE-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H27N/c1-6-13(4)10-9-11-14(5)12-15(7-2)8-3/h6,11,13H,1,7-10,12H2,2-5H3/b14-11+.
What are the key properties of (2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine?
(2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine is sourced from PubChem (CID 12807205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).