N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine

C9H17Cl2N — CID 103773975

IUPACN-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCC(Cl)=CCl
InChIInChI=1S/C9H17Cl2N/c1-4-5-9(2,3)12-7-8(11)6-10/h6,12H,4-5,7H2,1-3H3
InChIKeyKJWYGLIPUMCUQX-UHFFFAOYSA-N
MW210.15 g/mol
LogP3.47
Rot. Bonds5

About N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine

N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine (PubChem CID 103773975) has the molecular formula C9H17Cl2N and a molecular weight of 210.15 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine
PubChem CID103773975
Molecular FormulaC9H17Cl2N
Molecular Weight210.15 g/mol
Exact Mass209.07
IUPAC NameN-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCC(Cl)=CCl
InChIInChI=1S/C9H17Cl2N/c1-4-5-9(2,3)12-7-8(11)6-10/h6,12H,4-5,7H2,1-3H3
InChIKeyKJWYGLIPUMCUQX-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine (CID 103773975) is N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine is CCCC(C)(C)NCC(Cl)=CCl.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine?
The InChIKey is KJWYGLIPUMCUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl2N/c1-4-5-9(2,3)12-7-8(11)6-10/h6,12H,4-5,7H2,1-3H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine?
N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine has a molecular weight of 210.15 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine is sourced from PubChem (CID 103773975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).