(Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine

C7H14ClNO — CID 167216787

IUPAC(Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine
SMILESCC/C(NCCl)=C(\C)OC
InChIInChI=1S/C7H14ClNO/c1-4-7(9-5-8)6(2)10-3/h9H,4-5H2,1-3H3/b7-6-
InChIKeyGZOUKPUVIQUUDP-SREVYHEPSA-N
MW163.65 g/mol
LogP2.06
Rot. Bonds4

About (Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine

(Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine (PubChem CID 167216787) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine.

Molecular Properties

Compound Name(Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine
PubChem CID167216787
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine
SMILESCC/C(NCCl)=C(\C)OC
InChIInChI=1S/C7H14ClNO/c1-4-7(9-5-8)6(2)10-3/h9H,4-5H2,1-3H3/b7-6-
InChIKeyGZOUKPUVIQUUDP-SREVYHEPSA-N
XLogP2.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine 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 (Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine?
The IUPAC name of (Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine (CID 167216787) is (Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine.
What is the SMILES notation for (Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine?
The canonical SMILES for (Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine is CC/C(NCCl)=C(\C)OC.
What is the InChIKey of (Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine?
The InChIKey is GZOUKPUVIQUUDP-SREVYHEPSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-4-7(9-5-8)6(2)10-3/h9H,4-5H2,1-3H3/b7-6-.
What are the key properties of (Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine?
(Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine has a molecular weight of 163.65 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(chloromethyl)-2-methoxypent-2-en-3-amine is sourced from PubChem (CID 167216787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).