N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine

C9H16ClNO — CID 106437491

IUPACN-(3-chloro-2-methylprop-2-enyl)oxan-4-amine
SMILESCC(=CCl)CNC1CCOCC1
InChIInChI=1S/C9H16ClNO/c1-8(6-10)7-11-9-2-4-12-5-3-9/h6,9,11H,2-5,7H2,1H3
InChIKeyKKBUDDNGVRKYPX-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.90
Rot. Bonds3

About N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine

N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine (PubChem CID 106437491) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)oxan-4-amine
PubChem CID106437491
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)oxan-4-amine
SMILESCC(=CCl)CNC1CCOCC1
InChIInChI=1S/C9H16ClNO/c1-8(6-10)7-11-9-2-4-12-5-3-9/h6,9,11H,2-5,7H2,1H3
InChIKeyKKBUDDNGVRKYPX-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze N-(3-chloro-2-methylprop-2-enyl)oxan-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-(2-chloroprop-2-enyl)oxan-4-amine
CID 60871659
N-(2-methylprop-2-en-1-yl)oxan-4-amine
CID 62331163
N-(2-methylidenebutyl)oxan-4-amine
CID 66044496
N-(2,3-dichloroprop-2-enyl)oxan-4-amine
CID 79167917
N-[(E)-4-chlorobut-2-enyl]oxan-4-amine
CID 81430412
N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine
CID 103067663
N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 103069461
N-ethyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine
CID 103069462
N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine
CID 103069465
N-[(E)-3-chloroprop-2-enyl]oxan-4-amine
CID 103830641
N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine
CID 104866606
4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine
CID 106299733

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine (CID 106437491) is N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine is CC(=CCl)CNC1CCOCC1.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine?
The InChIKey is KKBUDDNGVRKYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(6-10)7-11-9-2-4-12-5-3-9/h6,9,11H,2-5,7H2,1H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine?
N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine has a molecular weight of 189.69 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine is sourced from PubChem (CID 106437491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).