(E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine

C14H29NO — CID 89088350

IUPAC(E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine
SMILESC/C=C(\CC(CC)NC)OC(CC)CCC
InChIInChI=1S/C14H29NO/c1-6-10-13(8-3)16-14(9-4)11-12(7-2)15-5/h9,12-13,15H,6-8,10-11H2,1-5H3/b14-9+
InChIKeyXNPRLNXWUINTQT-NTEUORMPSA-N
MW227.39 g/mol
LogP3.87
Rot. Bonds9

About (E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine

(E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine (PubChem CID 89088350) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine.

Molecular Properties

Compound Name(E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine
PubChem CID89088350
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine
SMILESC/C=C(\CC(CC)NC)OC(CC)CCC
InChIInChI=1S/C14H29NO/c1-6-10-13(8-3)16-14(9-4)11-12(7-2)15-5/h9,12-13,15H,6-8,10-11H2,1-5H3/b14-9+
InChIKeyXNPRLNXWUINTQT-NTEUORMPSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine?
The IUPAC name of (E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine (CID 89088350) is (E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine.
What is the SMILES notation for (E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine?
The canonical SMILES for (E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine is C/C=C(\CC(CC)NC)OC(CC)CCC.
What is the InChIKey of (E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine?
The InChIKey is XNPRLNXWUINTQT-NTEUORMPSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-10-13(8-3)16-14(9-4)11-12(7-2)15-5/h9,12-13,15H,6-8,10-11H2,1-5H3/b14-9+.
What are the key properties of (E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine?
(E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine is sourced from PubChem (CID 89088350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).