N-(2-chloroprop-2-enyl)oxan-3-amine

C8H14ClNO — CID 63363458

IUPACN-(2-chloroprop-2-enyl)oxan-3-amine
SMILESC=C(Cl)CNC1CCCOC1
InChIInChI=1S/C8H14ClNO/c1-7(9)5-10-8-3-2-4-11-6-8/h8,10H,1-6H2
InChIKeyAYGYBQLANLXDGI-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.51
Rot. Bonds3

About N-(2-chloroprop-2-enyl)oxan-3-amine

N-(2-chloroprop-2-enyl)oxan-3-amine (PubChem CID 63363458) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)oxan-3-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)oxan-3-amine
PubChem CID63363458
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC NameN-(2-chloroprop-2-enyl)oxan-3-amine
SMILESC=C(Cl)CNC1CCCOC1
InChIInChI=1S/C8H14ClNO/c1-7(9)5-10-8-3-2-4-11-6-8/h8,10H,1-6H2
InChIKeyAYGYBQLANLXDGI-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.51
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)oxan-3-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)oxan-3-amine (CID 63363458) is N-(2-chloroprop-2-enyl)oxan-3-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)oxan-3-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)oxan-3-amine is C=C(Cl)CNC1CCCOC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)oxan-3-amine?
The InChIKey is AYGYBQLANLXDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-7(9)5-10-8-3-2-4-11-6-8/h8,10H,1-6H2.
What are the key properties of N-(2-chloroprop-2-enyl)oxan-3-amine?
N-(2-chloroprop-2-enyl)oxan-3-amine has a molecular weight of 175.66 g/mol, XLogP of 1.51, 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)oxan-3-amine is sourced from PubChem (CID 63363458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).