N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine

C10H18ClNO — CID 106438110

IUPACN-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine
SMILESCC(=CCl)CNC1(C)CCOCC1
InChIInChI=1S/C10H18ClNO/c1-9(7-11)8-12-10(2)3-5-13-6-4-10/h7,12H,3-6,8H2,1-2H3
InChIKeyHWEIUOBNFJZCKK-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.29
Rot. Bonds3

About N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine

N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine (PubChem CID 106438110) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine
PubChem CID106438110
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine
SMILESCC(=CCl)CNC1(C)CCOCC1
InChIInChI=1S/C10H18ClNO/c1-9(7-11)8-12-10(2)3-5-13-6-4-10/h7,12H,3-6,8H2,1-2H3
InChIKeyHWEIUOBNFJZCKK-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine (CID 106438110) is N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine is CC(=CCl)CNC1(C)CCOCC1.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine?
The InChIKey is HWEIUOBNFJZCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(7-11)8-12-10(2)3-5-13-6-4-10/h7,12H,3-6,8H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine?
N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine has a molecular weight of 203.71 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine is sourced from PubChem (CID 106438110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).