N-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-amine

C10H18ClNO — CID 106438232

IUPACN-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-amine
SMILESCC(=CCl)CNC1(C)CCOC1C
InChIInChI=1S/C10H18ClNO/c1-8(6-11)7-12-10(3)4-5-13-9(10)2/h6,9,12H,4-5,7H2,1-3H3
InChIKeyQGUNHDDBDWPSNV-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.29
Rot. Bonds3

About N-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-amine

N-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-amine (PubChem CID 106438232) 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)-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-amine
PubChem CID106438232
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-amine
SMILESCC(=CCl)CNC1(C)CCOC1C
InChIInChI=1S/C10H18ClNO/c1-8(6-11)7-12-10(3)4-5-13-9(10)2/h6,9,12H,4-5,7H2,1-3H3
InChIKeyQGUNHDDBDWPSNV-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)-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-amine (CID 106438232) is N-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-amine is CC(=CCl)CNC1(C)CCOC1C.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-amine?
The InChIKey is QGUNHDDBDWPSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8(6-11)7-12-10(3)4-5-13-9(10)2/h6,9,12H,4-5,7H2,1-3H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-amine?
N-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-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)-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 106438232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).