2-ethoxy-5-methylidene-N-propylheptan-3-amine

C13H27NO — CID 66037101

IUPAC2-ethoxy-5-methylidene-N-propylheptan-3-amine
SMILESC=C(CC)CC(NCCC)C(C)OCC
InChIInChI=1S/C13H27NO/c1-6-9-14-13(10-11(4)7-2)12(5)15-8-3/h12-14H,4,6-10H2,1-3,5H3
InChIKeyDSFMINWOVRZVJB-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds9

About 2-ethoxy-5-methylidene-N-propylheptan-3-amine

2-ethoxy-5-methylidene-N-propylheptan-3-amine (PubChem CID 66037101) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-ethoxy-5-methylidene-N-propylheptan-3-amine.

Molecular Properties

Compound Name2-ethoxy-5-methylidene-N-propylheptan-3-amine
PubChem CID66037101
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-ethoxy-5-methylidene-N-propylheptan-3-amine
SMILESC=C(CC)CC(NCCC)C(C)OCC
InChIInChI=1S/C13H27NO/c1-6-9-14-13(10-11(4)7-2)12(5)15-8-3/h12-14H,4,6-10H2,1-3,5H3
InChIKeyDSFMINWOVRZVJB-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-ethoxy-5-methylidene-N-propylheptan-3-amine?
The IUPAC name of 2-ethoxy-5-methylidene-N-propylheptan-3-amine (CID 66037101) is 2-ethoxy-5-methylidene-N-propylheptan-3-amine.
What is the SMILES notation for 2-ethoxy-5-methylidene-N-propylheptan-3-amine?
The canonical SMILES for 2-ethoxy-5-methylidene-N-propylheptan-3-amine is C=C(CC)CC(NCCC)C(C)OCC.
What is the InChIKey of 2-ethoxy-5-methylidene-N-propylheptan-3-amine?
The InChIKey is DSFMINWOVRZVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-9-14-13(10-11(4)7-2)12(5)15-8-3/h12-14H,4,6-10H2,1-3,5H3.
What are the key properties of 2-ethoxy-5-methylidene-N-propylheptan-3-amine?
2-ethoxy-5-methylidene-N-propylheptan-3-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methylidene-N-propylheptan-3-amine is sourced from PubChem (CID 66037101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).