4-prop-2-enoxyhexane-1,3-diamine

C9H20N2O — CID 87134484

IUPAC4-prop-2-enoxyhexane-1,3-diamine
SMILESC=CCOC(CC)C(N)CCN
InChIInChI=1S/C9H20N2O/c1-3-7-12-9(4-2)8(11)5-6-10/h3,8-9H,1,4-7,10-11H2,2H3
InChIKeyGLBRVXHKSZTNRF-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.64
Rot. Bonds7

About 4-prop-2-enoxyhexane-1,3-diamine

4-prop-2-enoxyhexane-1,3-diamine (PubChem CID 87134484) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-prop-2-enoxyhexane-1,3-diamine.

Molecular Properties

Compound Name4-prop-2-enoxyhexane-1,3-diamine
PubChem CID87134484
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-prop-2-enoxyhexane-1,3-diamine
SMILESC=CCOC(CC)C(N)CCN
InChIInChI=1S/C9H20N2O/c1-3-7-12-9(4-2)8(11)5-6-10/h3,8-9H,1,4-7,10-11H2,2H3
InChIKeyGLBRVXHKSZTNRF-UHFFFAOYSA-N
XLogP0.64
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-prop-2-enoxyhexane-1,3-diamine?
The IUPAC name of 4-prop-2-enoxyhexane-1,3-diamine (CID 87134484) is 4-prop-2-enoxyhexane-1,3-diamine.
What is the SMILES notation for 4-prop-2-enoxyhexane-1,3-diamine?
The canonical SMILES for 4-prop-2-enoxyhexane-1,3-diamine is C=CCOC(CC)C(N)CCN.
What is the InChIKey of 4-prop-2-enoxyhexane-1,3-diamine?
The InChIKey is GLBRVXHKSZTNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-7-12-9(4-2)8(11)5-6-10/h3,8-9H,1,4-7,10-11H2,2H3.
What are the key properties of 4-prop-2-enoxyhexane-1,3-diamine?
4-prop-2-enoxyhexane-1,3-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxyhexane-1,3-diamine is sourced from PubChem (CID 87134484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).