(E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride

C10H17ClN2 — CID 155274603

IUPAC(E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride
SMILESC/C=C\N=C(Cl)\C(=C\CCC)CN
InChIInChI=1S/C10H17ClN2/c1-3-5-6-9(8-12)10(11)13-7-4-2/h4,6-7H,3,5,8,12H2,1-2H3/b7-4-,9-6+,13-10-
InChIKeyLSNPUPRUDGZNCN-XWLUENSRSA-N
MW200.71 g/mol
LogP2.84
Rot. Bonds5

About (E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride

(E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride (PubChem CID 155274603) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is (E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride
PubChem CID155274603
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name(E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride
SMILESC/C=C\N=C(Cl)\C(=C\CCC)CN
InChIInChI=1S/C10H17ClN2/c1-3-5-6-9(8-12)10(11)13-7-4-2/h4,6-7H,3,5,8,12H2,1-2H3/b7-4-,9-6+,13-10-
InChIKeyLSNPUPRUDGZNCN-XWLUENSRSA-N
XLogP2.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride?
The IUPAC name of (E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride (CID 155274603) is (E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride.
What is the SMILES notation for (E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride?
The canonical SMILES for (E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride is C/C=C\N=C(Cl)\C(=C\CCC)CN.
What is the InChIKey of (E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride?
The InChIKey is LSNPUPRUDGZNCN-XWLUENSRSA-N. The full InChI is InChI=1S/C10H17ClN2/c1-3-5-6-9(8-12)10(11)13-7-4-2/h4,6-7H,3,5,8,12H2,1-2H3/b7-4-,9-6+,13-10-.
What are the key properties of (E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride?
(E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride has a molecular weight of 200.71 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(aminomethyl)-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride is sourced from PubChem (CID 155274603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).