(Z)-N'-methoxyprop-1-ene-1,3-diamine

C4H10N2O — CID 145013470

IUPAC(Z)-N'-methoxyprop-1-ene-1,3-diamine
SMILESCONC/C=C\N
InChIInChI=1S/C4H10N2O/c1-7-6-4-2-3-5/h2-3,6H,4-5H2,1H3/b3-2-
InChIKeyBUMMLFWWDHOYPC-IHWYPQMZSA-N
MW102.14 g/mol
LogP-0.39
Rot. Bonds3

About (Z)-N'-methoxyprop-1-ene-1,3-diamine

(Z)-N'-methoxyprop-1-ene-1,3-diamine (PubChem CID 145013470) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is (Z)-N'-methoxyprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N'-methoxyprop-1-ene-1,3-diamine
PubChem CID145013470
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name(Z)-N'-methoxyprop-1-ene-1,3-diamine
SMILESCONC/C=C\N
InChIInChI=1S/C4H10N2O/c1-7-6-4-2-3-5/h2-3,6H,4-5H2,1H3/b3-2-
InChIKeyBUMMLFWWDHOYPC-IHWYPQMZSA-N
XLogP-0.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methoxyprop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N'-methoxyprop-1-ene-1,3-diamine (CID 145013470) is (Z)-N'-methoxyprop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N'-methoxyprop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N'-methoxyprop-1-ene-1,3-diamine is CONC/C=C\N.
What is the InChIKey of (Z)-N'-methoxyprop-1-ene-1,3-diamine?
The InChIKey is BUMMLFWWDHOYPC-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H10N2O/c1-7-6-4-2-3-5/h2-3,6H,4-5H2,1H3/b3-2-.
What are the key properties of (Z)-N'-methoxyprop-1-ene-1,3-diamine?
(Z)-N'-methoxyprop-1-ene-1,3-diamine has a molecular weight of 102.14 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methoxyprop-1-ene-1,3-diamine is sourced from PubChem (CID 145013470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).