N-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine

C11H21Cl2N — CID 79167547

IUPACN-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCC(Cl)=CCl
InChIInChI=1S/C11H21Cl2N/c1-10(2,3)8-11(4,5)14-7-9(13)6-12/h6,14H,7-8H2,1-5H3
InChIKeyYYDMPEHAJJFCCS-UHFFFAOYSA-N
MW238.20 g/mol
LogP4.11
Rot. Bonds4

About N-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine

N-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine (PubChem CID 79167547) has the molecular formula C11H21Cl2N and a molecular weight of 238.20 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine
PubChem CID79167547
Molecular FormulaC11H21Cl2N
Molecular Weight238.20 g/mol
Exact Mass237.11
IUPAC NameN-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCC(Cl)=CCl
InChIInChI=1S/C11H21Cl2N/c1-10(2,3)8-11(4,5)14-7-9(13)6-12/h6,14H,7-8H2,1-5H3
InChIKeyYYDMPEHAJJFCCS-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dichloroprop-2-enyl)-2-methylpentan-2-amine
CID 103773975
(Z)-2,3-dichloro-N-ethylprop-2-en-1-amine
CID 131438238
4-tert-butyl-N-(2,3-dichloroprop-2-enyl)aniline
CID 79168001
N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
CID 79257058
N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 54949020
2,3-dichloro-N-ethoxyprop-2-en-1-amine
CID 79164345
N-(2-bromoethyl)-2,4,4-trimethylpentan-2-amine
CID 91622619
N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 60975442
N,2,4,4-tetramethylpentan-2-amine
CID 20714825
N-(2,3-dichloroprop-2-enyl)aniline
CID 79167902
N-(2,3-dichloroprop-2-enyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905567
1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 63900457

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine (CID 79167547) is N-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine is CC(C)(C)CC(C)(C)NCC(Cl)=CCl.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine?
The InChIKey is YYDMPEHAJJFCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl2N/c1-10(2,3)8-11(4,5)14-7-9(13)6-12/h6,14H,7-8H2,1-5H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine?
N-(2,3-dichloroprop-2-enyl)-2,4,4-trimethylpentan-2-amine has a molecular weight of 238.20 g/mol, XLogP of 4.11, 4 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)-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 79167547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).