(Z)-4-propoxyhex-3-en-3-amine

C9H19NO — CID 163913866

IUPAC(Z)-4-propoxyhex-3-en-3-amine
SMILESCCCO/C(CC)=C(\N)CC
InChIInChI=1S/C9H19NO/c1-4-7-11-9(6-3)8(10)5-2/h4-7,10H2,1-3H3/b9-8-
InChIKeyQUNMHJJPEQOLIW-HJWRWDBZSA-N
MW157.26 g/mol
LogP2.40
Rot. Bonds5

About (Z)-4-propoxyhex-3-en-3-amine

(Z)-4-propoxyhex-3-en-3-amine (PubChem CID 163913866) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z)-4-propoxyhex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-4-propoxyhex-3-en-3-amine
PubChem CID163913866
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(Z)-4-propoxyhex-3-en-3-amine
SMILESCCCO/C(CC)=C(\N)CC
InChIInChI=1S/C9H19NO/c1-4-7-11-9(6-3)8(10)5-2/h4-7,10H2,1-3H3/b9-8-
InChIKeyQUNMHJJPEQOLIW-HJWRWDBZSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.40
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 (Z)-4-propoxyhex-3-en-3-amine?
The IUPAC name of (Z)-4-propoxyhex-3-en-3-amine (CID 163913866) is (Z)-4-propoxyhex-3-en-3-amine.
What is the SMILES notation for (Z)-4-propoxyhex-3-en-3-amine?
The canonical SMILES for (Z)-4-propoxyhex-3-en-3-amine is CCCO/C(CC)=C(\N)CC.
What is the InChIKey of (Z)-4-propoxyhex-3-en-3-amine?
The InChIKey is QUNMHJJPEQOLIW-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-7-11-9(6-3)8(10)5-2/h4-7,10H2,1-3H3/b9-8-.
What are the key properties of (Z)-4-propoxyhex-3-en-3-amine?
(Z)-4-propoxyhex-3-en-3-amine has a molecular weight of 157.26 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-propoxyhex-3-en-3-amine is sourced from PubChem (CID 163913866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).