(E)-1-imino-2-N-methylpent-2-ene-2,3-diamine

C6H13N3 — CID 177223268

IUPAC(E)-1-imino-2-N-methylpent-2-ene-2,3-diamine
SMILES[H]/N=C/C(NC)=C(\N)CC
InChIInChI=1S/C6H13N3/c1-3-5(8)6(4-7)9-2/h4,7,9H,3,8H2,1-2H3/b6-5+,7-4+
InChIKeyXUJKRVYNOHINPK-HVUXDCMCSA-N
MW127.19 g/mol
LogP0.44
Rot. Bonds3

About (E)-1-imino-2-N-methylpent-2-ene-2,3-diamine

(E)-1-imino-2-N-methylpent-2-ene-2,3-diamine (PubChem CID 177223268) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-1-imino-2-N-methylpent-2-ene-2,3-diamine.

Molecular Properties

Compound Name(E)-1-imino-2-N-methylpent-2-ene-2,3-diamine
PubChem CID177223268
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(E)-1-imino-2-N-methylpent-2-ene-2,3-diamine
SMILES[H]/N=C/C(NC)=C(\N)CC
InChIInChI=1S/C6H13N3/c1-3-5(8)6(4-7)9-2/h4,7,9H,3,8H2,1-2H3/b6-5+,7-4+
InChIKeyXUJKRVYNOHINPK-HVUXDCMCSA-N
XLogP0.44
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-imino-2-N-methylpent-2-ene-2,3-diamine?
The IUPAC name of (E)-1-imino-2-N-methylpent-2-ene-2,3-diamine (CID 177223268) is (E)-1-imino-2-N-methylpent-2-ene-2,3-diamine.
What is the SMILES notation for (E)-1-imino-2-N-methylpent-2-ene-2,3-diamine?
The canonical SMILES for (E)-1-imino-2-N-methylpent-2-ene-2,3-diamine is [H]/N=C/C(NC)=C(\N)CC.
What is the InChIKey of (E)-1-imino-2-N-methylpent-2-ene-2,3-diamine?
The InChIKey is XUJKRVYNOHINPK-HVUXDCMCSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-5(8)6(4-7)9-2/h4,7,9H,3,8H2,1-2H3/b6-5+,7-4+.
What are the key properties of (E)-1-imino-2-N-methylpent-2-ene-2,3-diamine?
(E)-1-imino-2-N-methylpent-2-ene-2,3-diamine has a molecular weight of 127.19 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-imino-2-N-methylpent-2-ene-2,3-diamine is sourced from PubChem (CID 177223268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).