N-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine

C11H21Cl2N — CID 102905567

IUPACN-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCC(Cl)=CCl)C(C)C
InChIInChI=1S/C11H21Cl2N/c1-8(2)11(9(3)4)7-14-6-10(13)5-12/h5,8-9,11,14H,6-7H2,1-4H3
InChIKeyCLFXCUZHDQXANE-UHFFFAOYSA-N
MW238.20 g/mol
LogP3.82
Rot. Bonds6

About N-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine

N-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102905567) has the molecular formula C11H21Cl2N and a molecular weight of 238.20 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102905567
Molecular FormulaC11H21Cl2N
Molecular Weight238.20 g/mol
Exact Mass237.11
IUPAC NameN-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCC(Cl)=CCl)C(C)C
InChIInChI=1S/C11H21Cl2N/c1-8(2)11(9(3)4)7-14-6-10(13)5-12/h5,8-9,11,14H,6-7H2,1-4H3
InChIKeyCLFXCUZHDQXANE-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 53.82
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)-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine (CID 102905567) is N-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNCC(Cl)=CCl)C(C)C.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is CLFXCUZHDQXANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl2N/c1-8(2)11(9(3)4)7-14-6-10(13)5-12/h5,8-9,11,14H,6-7H2,1-4H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine?
N-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 238.20 g/mol, XLogP of 3.82, 6 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)-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102905567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).