N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine

C9H17Cl2NO — CID 79167556

IUPACN-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine
SMILESCCCC(COC)NCC(Cl)=CCl
InChIInChI=1S/C9H17Cl2NO/c1-3-4-9(7-13-2)12-6-8(11)5-10/h5,9,12H,3-4,6-7H2,1-2H3
InChIKeyLSERRSPSIKELGM-UHFFFAOYSA-N
MW226.15 g/mol
LogP2.71
Rot. Bonds7

About N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine

N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine (PubChem CID 79167556) has the molecular formula C9H17Cl2NO and a molecular weight of 226.15 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine
PubChem CID79167556
Molecular FormulaC9H17Cl2NO
Molecular Weight226.15 g/mol
Exact Mass225.07
IUPAC NameN-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine
SMILESCCCC(COC)NCC(Cl)=CCl
InChIInChI=1S/C9H17Cl2NO/c1-3-4-9(7-13-2)12-6-8(11)5-10/h5,9,12H,3-4,6-7H2,1-2H3
InChIKeyLSERRSPSIKELGM-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine (CID 79167556) is N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine is CCCC(COC)NCC(Cl)=CCl.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine?
The InChIKey is LSERRSPSIKELGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl2NO/c1-3-4-9(7-13-2)12-6-8(11)5-10/h5,9,12H,3-4,6-7H2,1-2H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine?
N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine has a molecular weight of 226.15 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine is sourced from PubChem (CID 79167556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).