N-[(E)-3-chloroprop-2-enyl]oxan-3-amine

C8H14ClNO — CID 103832854

IUPACN-[(E)-3-chloroprop-2-enyl]oxan-3-amine
SMILESCl/C=C/CNC1CCCOC1
InChIInChI=1S/C8H14ClNO/c9-4-2-5-10-8-3-1-6-11-7-8/h2,4,8,10H,1,3,5-7H2/b4-2+
InChIKeyJJSRSPXVNJLVSL-DUXPYHPUSA-N
MW175.66 g/mol
LogP1.51
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]oxan-3-amine

N-[(E)-3-chloroprop-2-enyl]oxan-3-amine (PubChem CID 103832854) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]oxan-3-amine
PubChem CID103832854
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC NameN-[(E)-3-chloroprop-2-enyl]oxan-3-amine
SMILESCl/C=C/CNC1CCCOC1
InChIInChI=1S/C8H14ClNO/c9-4-2-5-10-8-3-1-6-11-7-8/h2,4,8,10H,1,3,5-7H2/b4-2+
InChIKeyJJSRSPXVNJLVSL-DUXPYHPUSA-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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Related Compounds

N-(2-chloroprop-2-enyl)oxan-3-amine
CID 63363458
N-prop-2-enyloxan-3-amine
CID 63363548
N-(2,3-dichloroprop-2-enyl)oxan-3-amine
CID 79167366
N-[(E)-4-chlorobut-2-enyl]oxan-3-amine
CID 81429418
N-[(E)-4-chlorobut-2-enyl]-1-methoxypentan-2-amine
CID 81429677
N-[(E)-4-chlorobut-2-enyl]oxan-4-amine
CID 81430412
N-[(E)-3-chloroprop-2-enyl]oxan-4-amine
CID 103830641
(E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914866
N-[(E)-3-chloroprop-2-enyl]-3-methyloxan-3-amine
CID 105796425
N-[(E)-4-chlorobut-2-enyl]-3-methyloxan-3-amine
CID 105796516
N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine
CID 106437760
N-[(E)-but-2-enyl]oxan-3-amine
CID 107898975

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]oxan-3-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]oxan-3-amine (CID 103832854) is N-[(E)-3-chloroprop-2-enyl]oxan-3-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]oxan-3-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]oxan-3-amine is Cl/C=C/CNC1CCCOC1.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]oxan-3-amine?
The InChIKey is JJSRSPXVNJLVSL-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H14ClNO/c9-4-2-5-10-8-3-1-6-11-7-8/h2,4,8,10H,1,3,5-7H2/b4-2+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]oxan-3-amine?
N-[(E)-3-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-[(E)-3-chloroprop-2-enyl]oxan-3-amine is sourced from PubChem (CID 103832854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).