N-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride

C6H10ClN3 — CID 89393019

IUPACN-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride
SMILESC=C(CN)/C(Cl)=N/C=C\N
InChIInChI=1S/C6H10ClN3/c1-5(4-9)6(7)10-3-2-8/h2-3H,1,4,8-9H2/b3-2-,10-6-
InChIKeyDHYJUNXWXJPXHB-YZVKLLDCSA-N
MW159.62 g/mol
LogP0.57
Rot. Bonds3

About N-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride

N-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride (PubChem CID 89393019) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is N-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride.

Molecular Properties

Compound NameN-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride
PubChem CID89393019
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC NameN-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride
SMILESC=C(CN)/C(Cl)=N/C=C\N
InChIInChI=1S/C6H10ClN3/c1-5(4-9)6(7)10-3-2-8/h2-3H,1,4,8-9H2/b3-2-,10-6-
InChIKeyDHYJUNXWXJPXHB-YZVKLLDCSA-N
XLogP0.57
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 50.57
H-Bond Donors ≤ 52
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 N-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride?
The IUPAC name of N-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride (CID 89393019) is N-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride.
What is the SMILES notation for N-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride?
The canonical SMILES for N-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride is C=C(CN)/C(Cl)=N/C=C\N.
What is the InChIKey of N-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride?
The InChIKey is DHYJUNXWXJPXHB-YZVKLLDCSA-N. The full InChI is InChI=1S/C6H10ClN3/c1-5(4-9)6(7)10-3-2-8/h2-3H,1,4,8-9H2/b3-2-,10-6-.
What are the key properties of N-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride?
N-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride has a molecular weight of 159.62 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-aminoethenyl]-2-(aminomethyl)prop-2-enimidoyl chloride is sourced from PubChem (CID 89393019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).