(Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine

C11H24N2O2 — CID 173467066

IUPAC(Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine
SMILESCCNCC/C=C(/C)OCC(N)COC
InChIInChI=1S/C11H24N2O2/c1-4-13-7-5-6-10(2)15-9-11(12)8-14-3/h6,11,13H,4-5,7-9,12H2,1-3H3/b10-6-
InChIKeyGMRJVPKDOLMBIN-POHAHGRESA-N
MW216.32 g/mol
LogP0.88
Rot. Bonds9

About (Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine

(Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine (PubChem CID 173467066) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine
PubChem CID173467066
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine
SMILESCCNCC/C=C(/C)OCC(N)COC
InChIInChI=1S/C11H24N2O2/c1-4-13-7-5-6-10(2)15-9-11(12)8-14-3/h6,11,13H,4-5,7-9,12H2,1-3H3/b10-6-
InChIKeyGMRJVPKDOLMBIN-POHAHGRESA-N
XLogP0.88
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine?
The IUPAC name of (Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine (CID 173467066) is (Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine is CCNCC/C=C(/C)OCC(N)COC.
What is the InChIKey of (Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine?
The InChIKey is GMRJVPKDOLMBIN-POHAHGRESA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-13-7-5-6-10(2)15-9-11(12)8-14-3/h6,11,13H,4-5,7-9,12H2,1-3H3/b10-6-.
What are the key properties of (Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine?
(Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine has a molecular weight of 216.32 g/mol, XLogP of 0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine is sourced from PubChem (CID 173467066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).