2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine

C9H16ClNO — CID 61038742

IUPAC2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCCC1CCCO1
InChIInChI=1S/C9H16ClNO/c1-8(10)7-11-5-4-9-3-2-6-12-9/h9,11H,1-7H2
InChIKeyAZYDQWVITWOLOT-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.90
Rot. Bonds5

About 2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine

2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine (PubChem CID 61038742) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
PubChem CID61038742
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCCC1CCCO1
InChIInChI=1S/C9H16ClNO/c1-8(10)7-11-5-4-9-3-2-6-12-9/h9,11H,1-7H2
InChIKeyAZYDQWVITWOLOT-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-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 2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine (CID 61038742) is 2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine is C=C(Cl)CNCCC1CCCO1.
What is the InChIKey of 2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine?
The InChIKey is AZYDQWVITWOLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(10)7-11-5-4-9-3-2-6-12-9/h9,11H,1-7H2.
What are the key properties of 2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine?
2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine has a molecular weight of 189.69 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 61038742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).