(E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine

C13H27NO — CID 118282127

IUPAC(E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine
SMILESCCCC(/C=C(\CC)CN)CCCOC
InChIInChI=1S/C13H27NO/c1-4-7-13(8-6-9-15-3)10-12(5-2)11-14/h10,13H,4-9,11,14H2,1-3H3/b12-10+
InChIKeyGKSVAMSCDNBKNO-ZRDIBKRKSA-N
MW213.36 g/mol
LogP3.12
Rot. Bonds9

About (E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine

(E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine (PubChem CID 118282127) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine
PubChem CID118282127
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine
SMILESCCCC(/C=C(\CC)CN)CCCOC
InChIInChI=1S/C13H27NO/c1-4-7-13(8-6-9-15-3)10-12(5-2)11-14/h10,13H,4-9,11,14H2,1-3H3/b12-10+
InChIKeyGKSVAMSCDNBKNO-ZRDIBKRKSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine?
The IUPAC name of (E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine (CID 118282127) is (E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine.
What is the SMILES notation for (E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine?
The canonical SMILES for (E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine is CCCC(/C=C(\CC)CN)CCCOC.
What is the InChIKey of (E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine?
The InChIKey is GKSVAMSCDNBKNO-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-13(8-6-9-15-3)10-12(5-2)11-14/h10,13H,4-9,11,14H2,1-3H3/b12-10+.
What are the key properties of (E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine?
(E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine is sourced from PubChem (CID 118282127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).