N-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine

C10H18ClNO — CID 115919583

IUPACN-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine
SMILESC=C(Cl)CNC1CC(C)OC(C)C1
InChIInChI=1S/C10H18ClNO/c1-7(11)6-12-10-4-8(2)13-9(3)5-10/h8-10,12H,1,4-6H2,2-3H3
InChIKeyBUOBKERZENOXLR-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.28
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine

N-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine (PubChem CID 115919583) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine
PubChem CID115919583
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine
SMILESC=C(Cl)CNC1CC(C)OC(C)C1
InChIInChI=1S/C10H18ClNO/c1-7(11)6-12-10-4-8(2)13-9(3)5-10/h8-10,12H,1,4-6H2,2-3H3
InChIKeyBUOBKERZENOXLR-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroprop-2-enyl)oxan-4-amine
CID 60871659
N-prop-2-enyl-2-propyloxan-4-amine
CID 64106303
2-ethyl-N-prop-2-enyloxan-4-amine
CID 64106499
2-methyl-N-prop-2-enyloxan-4-amine
CID 64106500
2,6-dimethyl-N-prop-2-enyloxan-4-amine
CID 81850354
N-(2-chloroprop-2-enyl)-2,2-dimethyloxan-4-amine
CID 83032904
N-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine
CID 83033513
2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine
CID 103522641
N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine
CID 103991296
N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine
CID 104530566
N-[(E)-but-2-enyl]-2-methyloxan-4-amine
CID 105752275
N-[(E)-3-chloroprop-2-enyl]-2-methyloxan-4-amine
CID 105752372

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine (CID 115919583) is N-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine is C=C(Cl)CNC1CC(C)OC(C)C1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine?
The InChIKey is BUOBKERZENOXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-7(11)6-12-10-4-8(2)13-9(3)5-10/h8-10,12H,1,4-6H2,2-3H3.
What are the key properties of N-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine?
N-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine has a molecular weight of 203.71 g/mol, XLogP of 2.28, 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)-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 115919583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).