N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine

C9H15Cl2NO — CID 104866606

IUPACN-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine
SMILESCC1(NCC(Cl)=CCl)CCOCC1
InChIInChI=1S/C9H15Cl2NO/c1-9(2-4-13-5-3-9)12-7-8(11)6-10/h6,12H,2-5,7H2,1H3
InChIKeyJWMFOEPFRMGKKC-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.46
Rot. Bonds3

About N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine

N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine (PubChem CID 104866606) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine
PubChem CID104866606
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC NameN-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine
SMILESCC1(NCC(Cl)=CCl)CCOCC1
InChIInChI=1S/C9H15Cl2NO/c1-9(2-4-13-5-3-9)12-7-8(11)6-10/h6,12H,2-5,7H2,1H3
InChIKeyJWMFOEPFRMGKKC-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 79167650
N-(2,3-dichloroprop-2-enyl)oxan-4-amine
CID 79167917
N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine
CID 103581122
[4-(2,3-Dichloroprop-2-enylamino)oxan-4-yl]methanol
CID 103774319
2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914764
2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine
CID 104876930
N-(2,3-dichloroprop-2-enyl)-3-methyloxan-3-amine
CID 105796487
N-[(E)-but-2-enyl]-4-(chloromethyl)oxan-4-amine
CID 106299655
4-(chloromethyl)-N-prop-2-enyloxan-4-amine
CID 106299706
4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine
CID 106299733
4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine
CID 106299833
N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine
CID 106437491

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine (CID 104866606) is N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine is CC1(NCC(Cl)=CCl)CCOCC1.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine?
The InChIKey is JWMFOEPFRMGKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-9(2-4-13-5-3-9)12-7-8(11)6-10/h6,12H,2-5,7H2,1H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine?
N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine has a molecular weight of 224.13 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine is sourced from PubChem (CID 104866606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).