N-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine

C11H18ClNO — CID 106438267

IUPACN-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine
SMILESCC(=CCl)CNC1CCOC1C1CC1
InChIInChI=1S/C11H18ClNO/c1-8(6-12)7-13-10-4-5-14-11(10)9-2-3-9/h6,9-11,13H,2-5,7H2,1H3
InChIKeyRUNLSCFCWKAELQ-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.29
Rot. Bonds4

About N-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine

N-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine (PubChem CID 106438267) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine
PubChem CID106438267
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine
SMILESCC(=CCl)CNC1CCOC1C1CC1
InChIInChI=1S/C11H18ClNO/c1-8(6-12)7-13-10-4-5-14-11(10)9-2-3-9/h6,9-11,13H,2-5,7H2,1H3
InChIKeyRUNLSCFCWKAELQ-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
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-cyclopropyloxolan-3-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine (CID 106438267) is N-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine is CC(=CCl)CNC1CCOC1C1CC1.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine?
The InChIKey is RUNLSCFCWKAELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-8(6-12)7-13-10-4-5-14-11(10)9-2-3-9/h6,9-11,13H,2-5,7H2,1H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine?
N-(3-chloro-2-methylprop-2-enyl)-2-cyclopropyloxolan-3-amine has a molecular weight of 215.72 g/mol, XLogP of 2.29, 4 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-cyclopropyloxolan-3-amine is sourced from PubChem (CID 106438267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).