3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine

C11H23ClN2 — CID 107913968

IUPAC3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
SMILESCC(Cl)C(C)(C)NCCN1CCCC1
InChIInChI=1S/C11H23ClN2/c1-10(12)11(2,3)13-6-9-14-7-4-5-8-14/h10,13H,4-9H2,1-3H3
InChIKeySJRWKSZDWQVIGD-UHFFFAOYSA-N
MW218.77 g/mol
LogP2.08
Rot. Bonds5

About 3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine

3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine (PubChem CID 107913968) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
PubChem CID107913968
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
SMILESCC(Cl)C(C)(C)NCCN1CCCC1
InChIInChI=1S/C11H23ClN2/c1-10(12)11(2,3)13-6-9-14-7-4-5-8-14/h10,13H,4-9H2,1-3H3
InChIKeySJRWKSZDWQVIGD-UHFFFAOYSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-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

1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 107913722
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
1-methoxy-2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 103864713
2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103387444
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
CID 107912102
2-pyrrolidin-1-ylethylhydrazine
CID 3031556
1-(2-piperidin-1-ylethylamino)ethanethiol
CID 129067667
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine
CID 106122021

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine?
The IUPAC name of 3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine (CID 107913968) is 3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine?
The canonical SMILES for 3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine is CC(Cl)C(C)(C)NCCN1CCCC1.
What is the InChIKey of 3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine?
The InChIKey is SJRWKSZDWQVIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2/c1-10(12)11(2,3)13-6-9-14-7-4-5-8-14/h10,13H,4-9H2,1-3H3.
What are the key properties of 3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine?
3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine has a molecular weight of 218.77 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine is sourced from PubChem (CID 107913968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).