(E)-1-methoxyprop-1-ene-1,2-diamine

C4H10N2O — CID 139354826

IUPAC(E)-1-methoxyprop-1-ene-1,2-diamine
SMILESCO/C(N)=C(\C)N
InChIInChI=1S/C4H10N2O/c1-3(5)4(6)7-2/h5-6H2,1-2H3/b4-3+
InChIKeyHQMSOLWSVXNLGO-ONEGZZNKSA-N
MW102.14 g/mol
LogP-0.26
Rot. Bonds1

About (E)-1-methoxyprop-1-ene-1,2-diamine

(E)-1-methoxyprop-1-ene-1,2-diamine (PubChem CID 139354826) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is (E)-1-methoxyprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-methoxyprop-1-ene-1,2-diamine
PubChem CID139354826
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name(E)-1-methoxyprop-1-ene-1,2-diamine
SMILESCO/C(N)=C(\C)N
InChIInChI=1S/C4H10N2O/c1-3(5)4(6)7-2/h5-6H2,1-2H3/b4-3+
InChIKeyHQMSOLWSVXNLGO-ONEGZZNKSA-N
XLogP-0.26
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methoxybut-2-en-2-amine
CID 130248747
(Z)-1-(1-aminoethenoxy)prop-1-en-2-amine
CID 130441321
(Z)-1-methoxy-1-N-methylprop-1-ene-1,2-diamine
CID 132181354
(E)-1-methoxy-3-methylbut-1-ene-1,2-diamine
CID 139354665
(E)-1-methoxybut-1-ene-1,2-diamine
CID 139354738
(2-Amino-1-methoxy-3-methylbut-1-enyl)azanium
CID 146703350
(E)-1-ethenoxyprop-1-ene-1,2-diamine
CID 163566555
1-Methoxy-3-methylbut-1-ene-1,2-diamine
CID 146703351

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxyprop-1-ene-1,2-diamine?
The IUPAC name of (E)-1-methoxyprop-1-ene-1,2-diamine (CID 139354826) is (E)-1-methoxyprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-1-methoxyprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-1-methoxyprop-1-ene-1,2-diamine is CO/C(N)=C(\C)N.
What is the InChIKey of (E)-1-methoxyprop-1-ene-1,2-diamine?
The InChIKey is HQMSOLWSVXNLGO-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H10N2O/c1-3(5)4(6)7-2/h5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-1-methoxyprop-1-ene-1,2-diamine?
(E)-1-methoxyprop-1-ene-1,2-diamine has a molecular weight of 102.14 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxyprop-1-ene-1,2-diamine is sourced from PubChem (CID 139354826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).