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

C9H16ClNO — CID 131107096

IUPACN-(2-chloroprop-2-enyl)-N-methyloxan-4-amine
SMILESC=C(Cl)CN(C)C1CCOCC1
InChIInChI=1S/C9H16ClNO/c1-8(10)7-11(2)9-3-5-12-6-4-9/h9H,1,3-7H2,2H3
InChIKeySIFVFUJSHCUVGB-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.85
Rot. Bonds3

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

N-(2-chloroprop-2-enyl)-N-methyloxan-4-amine (PubChem CID 131107096) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-N-methyloxan-4-amine
PubChem CID131107096
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-(2-chloroprop-2-enyl)-N-methyloxan-4-amine
SMILESC=C(Cl)CN(C)C1CCOCC1
InChIInChI=1S/C9H16ClNO/c1-8(10)7-11(2)9-3-5-12-6-4-9/h9H,1,3-7H2,2H3
InChIKeySIFVFUJSHCUVGB-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-N-prop-2-enyloxan-4-amine
CID 21034309
N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine
CID 21034321
N-but-2-enyl-N-methyloxan-4-amine
CID 123376411
N-(2-chloroethyl)-N-methyloxan-4-amine
CID 61288159
N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine
CID 77051179
N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine
CID 103067663
N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine
CID 131233828
N-[(E)-but-2-enyl]-N-methyloxan-4-amine
CID 131234709

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-N-methyloxan-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-N-methyloxan-4-amine (CID 131107096) is N-(2-chloroprop-2-enyl)-N-methyloxan-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-N-methyloxan-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-N-methyloxan-4-amine is C=C(Cl)CN(C)C1CCOCC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-N-methyloxan-4-amine?
The InChIKey is SIFVFUJSHCUVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(10)7-11(2)9-3-5-12-6-4-9/h9H,1,3-7H2,2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-N-methyloxan-4-amine?
N-(2-chloroprop-2-enyl)-N-methyloxan-4-amine has a molecular weight of 189.69 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-N-methyloxan-4-amine is sourced from PubChem (CID 131107096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).