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

C8H14ClNO — CID 60871659

IUPACN-(2-chloroprop-2-enyl)oxan-4-amine
SMILESC=C(Cl)CNC1CCOCC1
InChIInChI=1S/C8H14ClNO/c1-7(9)6-10-8-2-4-11-5-3-8/h8,10H,1-6H2
InChIKeySLDXCBFUAZPRMQ-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.51
Rot. Bonds3

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

N-(2-chloroprop-2-enyl)oxan-4-amine (PubChem CID 60871659) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)oxan-4-amine
PubChem CID60871659
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC NameN-(2-chloroprop-2-enyl)oxan-4-amine
SMILESC=C(Cl)CNC1CCOCC1
InChIInChI=1S/C8H14ClNO/c1-7(9)6-10-8-2-4-11-5-3-8/h8,10H,1-6H2
InChIKeySLDXCBFUAZPRMQ-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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Related Compounds

N-prop-2-enyloxan-4-amine
CID 43608314
N-(2-chloroprop-2-enyl)oxan-3-amine
CID 63363458
N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine
CID 64604031
N-(2,3-dichloroprop-2-enyl)oxan-4-amine
CID 79167917
N-[(E)-4-chlorobut-2-enyl]oxan-4-amine
CID 81430412
N-[(E)-3-chloroprop-2-enyl]oxan-4-amine
CID 103830641
N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine
CID 106437491
N-(2-chloroprop-2-enyl)-2-methyloxan-4-amine
CID 115898662
N-(2-chloroprop-2-enyl)-2,6-dimethyloxan-4-amine
CID 115919583
N-(2-chloroprop-2-enyl)-4-methyloxan-4-amine
CID 116231601
N-[(Z)-2,3-dichloroprop-2-enyl]-3-methyloxan-4-amine
CID 133616967

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)oxan-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)oxan-4-amine (CID 60871659) is N-(2-chloroprop-2-enyl)oxan-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)oxan-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)oxan-4-amine is C=C(Cl)CNC1CCOCC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)oxan-4-amine?
The InChIKey is SLDXCBFUAZPRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-7(9)6-10-8-2-4-11-5-3-8/h8,10H,1-6H2.
What are the key properties of N-(2-chloroprop-2-enyl)oxan-4-amine?
N-(2-chloroprop-2-enyl)oxan-4-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-4-amine is sourced from PubChem (CID 60871659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).