(E)-N-tert-butyl-8-methylnon-3-en-1-amine

C14H29N — CID 83162447

IUPAC(E)-N-tert-butyl-8-methylnon-3-en-1-amine
SMILESCC(C)CCC/C=C/CCNC(C)(C)C
InChIInChI=1S/C14H29N/c1-13(2)11-9-7-6-8-10-12-15-14(3,4)5/h6,8,13,15H,7,9-12H2,1-5H3/b8-6+
InChIKeyOQCKQGLZQXQKNW-SOFGYWHQSA-N
MW211.39 g/mol
LogP4.15
Rot. Bonds7

About (E)-N-tert-butyl-8-methylnon-3-en-1-amine

(E)-N-tert-butyl-8-methylnon-3-en-1-amine (PubChem CID 83162447) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (E)-N-tert-butyl-8-methylnon-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-8-methylnon-3-en-1-amine
PubChem CID83162447
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(E)-N-tert-butyl-8-methylnon-3-en-1-amine
SMILESCC(C)CCC/C=C/CCNC(C)(C)C
InChIInChI=1S/C14H29N/c1-13(2)11-9-7-6-8-10-12-15-14(3,4)5/h6,8,13,15H,7,9-12H2,1-5H3/b8-6+
InChIKeyOQCKQGLZQXQKNW-SOFGYWHQSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
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-tert-butyl-8-methylnon-3-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-8-methylnon-3-en-1-amine (CID 83162447) is (E)-N-tert-butyl-8-methylnon-3-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-8-methylnon-3-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-8-methylnon-3-en-1-amine is CC(C)CCC/C=C/CCNC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-8-methylnon-3-en-1-amine?
The InChIKey is OQCKQGLZQXQKNW-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H29N/c1-13(2)11-9-7-6-8-10-12-15-14(3,4)5/h6,8,13,15H,7,9-12H2,1-5H3/b8-6+.
What are the key properties of (E)-N-tert-butyl-8-methylnon-3-en-1-amine?
(E)-N-tert-butyl-8-methylnon-3-en-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-8-methylnon-3-en-1-amine is sourced from PubChem (CID 83162447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).