N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine

C10H22ClN — CID 115215261

IUPACN-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine
SMILESCC(C)(C)C(C)(C)CNCCCl
InChIInChI=1S/C10H22ClN/c1-9(2,3)10(4,5)8-12-7-6-11/h12H,6-8H2,1-5H3
InChIKeyKYYYZRVEHFUFNA-UHFFFAOYSA-N
MW191.75 g/mol
LogP2.89
Rot. Bonds4

About N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine

N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine (PubChem CID 115215261) has the molecular formula C10H22ClN and a molecular weight of 191.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine
PubChem CID115215261
Molecular FormulaC10H22ClN
Molecular Weight191.75 g/mol
Exact Mass191.14
IUPAC NameN-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine
SMILESCC(C)(C)C(C)(C)CNCCCl
InChIInChI=1S/C10H22ClN/c1-9(2,3)10(4,5)8-12-7-6-11/h12H,6-8H2,1-5H3
InChIKeyKYYYZRVEHFUFNA-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.75
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,2,3,3-tetramethylbutyl)methanediamine
CID 115226324
(2,2,3,3-tetramethylbutylamino)methanethiol
CID 115228509
2-(2,2,3,3-tetramethylbutylamino)acetonitrile
CID 115131458
2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine
CID 115215289
2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol
CID 115135569
N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine
CID 115215348
2,2,3,3-tetramethylbutylhydrazine
CID 130727218
1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine
CID 115257108
N-(2-chloroethyl)pentan-1-amine;hydrochloride
CID 173239828
N-(2-chloroethyl)-2-methyl-2-(3-methylthiophen-2-yl)propan-1-amine
CID 115215359
2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine
CID 115198913
N-(2-chloroethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine
CID 115215295

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine?
The IUPAC name of N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine (CID 115215261) is N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine is CC(C)(C)C(C)(C)CNCCCl.
What is the InChIKey of N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine?
The InChIKey is KYYYZRVEHFUFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClN/c1-9(2,3)10(4,5)8-12-7-6-11/h12H,6-8H2,1-5H3.
What are the key properties of N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine?
N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine has a molecular weight of 191.75 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine is sourced from PubChem (CID 115215261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).