2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine

C14H27NO — CID 129043449

IUPAC2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine
SMILESC=C(CCCC)NC(C(=C)OCC)C(C)C
InChIInChI=1S/C14H27NO/c1-7-9-10-12(5)15-14(11(3)4)13(6)16-8-2/h11,14-15H,5-10H2,1-4H3
InChIKeyDHFZGOSDJQINHF-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.85
Rot. Bonds9

About 2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine

2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine (PubChem CID 129043449) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine
PubChem CID129043449
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine
SMILESC=C(CCCC)NC(C(=C)OCC)C(C)C
InChIInChI=1S/C14H27NO/c1-7-9-10-12(5)15-14(11(3)4)13(6)16-8-2/h11,14-15H,5-10H2,1-4H3
InChIKeyDHFZGOSDJQINHF-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.85
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 2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine?
The IUPAC name of 2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine (CID 129043449) is 2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine.
What is the SMILES notation for 2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine?
The canonical SMILES for 2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine is C=C(CCCC)NC(C(=C)OCC)C(C)C.
What is the InChIKey of 2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine?
The InChIKey is DHFZGOSDJQINHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-9-10-12(5)15-14(11(3)4)13(6)16-8-2/h11,14-15H,5-10H2,1-4H3.
What are the key properties of 2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine?
2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine has a molecular weight of 225.38 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine is sourced from PubChem (CID 129043449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).