(Z)-4-ethoxy-N-methylhex-4-en-1-amine

C9H19NO — CID 177319837

IUPAC(Z)-4-ethoxy-N-methylhex-4-en-1-amine
SMILESC/C=C(/CCCNC)OCC
InChIInChI=1S/C9H19NO/c1-4-9(11-5-2)7-6-8-10-3/h4,10H,5-8H2,1-3H3/b9-4-
InChIKeyMIXWVXAPGXZZFT-WTKPLQERSA-N
MW157.26 g/mol
LogP1.93
Rot. Bonds6

About (Z)-4-ethoxy-N-methylhex-4-en-1-amine

(Z)-4-ethoxy-N-methylhex-4-en-1-amine (PubChem CID 177319837) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z)-4-ethoxy-N-methylhex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-4-ethoxy-N-methylhex-4-en-1-amine
PubChem CID177319837
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(Z)-4-ethoxy-N-methylhex-4-en-1-amine
SMILESC/C=C(/CCCNC)OCC
InChIInChI=1S/C9H19NO/c1-4-9(11-5-2)7-6-8-10-3/h4,10H,5-8H2,1-3H3/b9-4-
InChIKeyMIXWVXAPGXZZFT-WTKPLQERSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethoxy-N-methylhex-4-en-1-amine?
The IUPAC name of (Z)-4-ethoxy-N-methylhex-4-en-1-amine (CID 177319837) is (Z)-4-ethoxy-N-methylhex-4-en-1-amine.
What is the SMILES notation for (Z)-4-ethoxy-N-methylhex-4-en-1-amine?
The canonical SMILES for (Z)-4-ethoxy-N-methylhex-4-en-1-amine is C/C=C(/CCCNC)OCC.
What is the InChIKey of (Z)-4-ethoxy-N-methylhex-4-en-1-amine?
The InChIKey is MIXWVXAPGXZZFT-WTKPLQERSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(11-5-2)7-6-8-10-3/h4,10H,5-8H2,1-3H3/b9-4-.
What are the key properties of (Z)-4-ethoxy-N-methylhex-4-en-1-amine?
(Z)-4-ethoxy-N-methylhex-4-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethoxy-N-methylhex-4-en-1-amine is sourced from PubChem (CID 177319837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).