N-(2-chloroprop-2-enyl)-2-methyloxan-4-amine

C9H16ClNO — CID 115898662

IUPACN-(2-chloroprop-2-enyl)-2-methyloxan-4-amine
SMILESC=C(Cl)CNC1CCOC(C)C1
InChIInChI=1S/C9H16ClNO/c1-7(10)6-11-9-3-4-12-8(2)5-9/h8-9,11H,1,3-6H2,2H3
InChIKeyYAQMSUVZTPZJJK-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.90
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-2-methyloxan-4-amine

N-(2-chloroprop-2-enyl)-2-methyloxan-4-amine (PubChem CID 115898662) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-methyloxan-4-amine
PubChem CID115898662
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-(2-chloroprop-2-enyl)-2-methyloxan-4-amine
SMILESC=C(Cl)CNC1CCOC(C)C1
InChIInChI=1S/C9H16ClNO/c1-7(10)6-11-9-3-4-12-8(2)5-9/h8-9,11H,1,3-6H2,2H3
InChIKeyYAQMSUVZTPZJJK-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-methyloxan-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-methyloxan-4-amine (CID 115898662) is N-(2-chloroprop-2-enyl)-2-methyloxan-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-methyloxan-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-methyloxan-4-amine is C=C(Cl)CNC1CCOC(C)C1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-methyloxan-4-amine?
The InChIKey is YAQMSUVZTPZJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-7(10)6-11-9-3-4-12-8(2)5-9/h8-9,11H,1,3-6H2,2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-2-methyloxan-4-amine?
N-(2-chloroprop-2-enyl)-2-methyloxan-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-(2-chloroprop-2-enyl)-2-methyloxan-4-amine is sourced from PubChem (CID 115898662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).