N-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine

C12H22ClNO — CID 83033513

IUPACN-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine
SMILESC=C(Cl)CNC1CCOC(CC)(CC)C1
InChIInChI=1S/C12H22ClNO/c1-4-12(5-2)8-11(6-7-15-12)14-9-10(3)13/h11,14H,3-9H2,1-2H3
InChIKeyIFYYNVLBPGPERA-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.07
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine

N-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine (PubChem CID 83033513) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine
PubChem CID83033513
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine
SMILESC=C(Cl)CNC1CCOC(CC)(CC)C1
InChIInChI=1S/C12H22ClNO/c1-4-12(5-2)8-11(6-7-15-12)14-9-10(3)13/h11,14H,3-9H2,1-2H3
InChIKeyIFYYNVLBPGPERA-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.07
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)-2,2-diethyloxan-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine (CID 83033513) is N-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine is C=C(Cl)CNC1CCOC(CC)(CC)C1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine?
The InChIKey is IFYYNVLBPGPERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-4-12(5-2)8-11(6-7-15-12)14-9-10(3)13/h11,14H,3-9H2,1-2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine?
N-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine has a molecular weight of 231.77 g/mol, XLogP of 3.07, 5 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)-2,2-diethyloxan-4-amine is sourced from PubChem (CID 83033513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).