N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine

C9H16ClNO — CID 131233828

IUPACN-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine
SMILESCN(C/C=C/Cl)C1CCOCC1
InChIInChI=1S/C9H16ClNO/c1-11(6-2-5-10)9-3-7-12-8-4-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+
InChIKeyWMCNZRIBYPFOGT-GORDUTHDSA-N
MW189.69 g/mol
LogP1.85
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine

N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine (PubChem CID 131233828) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine
PubChem CID131233828
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine
SMILESCN(C/C=C/Cl)C1CCOCC1
InChIInChI=1S/C9H16ClNO/c1-11(6-2-5-10)9-3-7-12-8-4-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+
InChIKeyWMCNZRIBYPFOGT-GORDUTHDSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-propan-2-yl-N-prop-2-enyloxan-4-amine
CID 21034309
N-but-2-enyl-N-methyloxan-4-amine
CID 123376411
N-but-3-en-2-yl-N-ethyloxan-4-amine
CID 135183299
N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine
CID 77051179
N-[(E)-4-chlorobut-2-enyl]oxan-4-amine
CID 81430412
N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine
CID 103067663
N-(2-chloroprop-2-enyl)-N-methyloxan-4-amine
CID 131107096
N-[(E)-but-2-enyl]-N-methyloxan-4-amine
CID 131234709
N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine
CID 131235644

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine (CID 131233828) is N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine is CN(C/C=C/Cl)C1CCOCC1.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine?
The InChIKey is WMCNZRIBYPFOGT-GORDUTHDSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-11(6-2-5-10)9-3-7-12-8-4-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine?
N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine has a molecular weight of 189.69 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine is sourced from PubChem (CID 131233828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).