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

C11H23ClN2 — CID 107913722

IUPAC1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
SMILESCCC(C)(CCl)NCCN1CCCC1
InChIInChI=1S/C11H23ClN2/c1-3-11(2,10-12)13-6-9-14-7-4-5-8-14/h13H,3-10H2,1-2H3
InChIKeyVGMDJUBDKBSAGP-UHFFFAOYSA-N
MW218.77 g/mol
LogP2.08
Rot. Bonds6

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

1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine (PubChem CID 107913722) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is 1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine.

Molecular Properties

Compound Name1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
PubChem CID107913722
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
SMILESCCC(C)(CCl)NCCN1CCCC1
InChIInChI=1S/C11H23ClN2/c1-3-11(2,10-12)13-6-9-14-7-4-5-8-14/h13H,3-10H2,1-2H3
InChIKeyVGMDJUBDKBSAGP-UHFFFAOYSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 1-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

2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
CID 107912102
3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 107913968
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 115651559
1-methoxy-2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 103864713
1-chloro-2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
CID 65024453
1-chloro-N-(3-ethylsulfonylpropyl)-2-methylbutan-2-amine
CID 65096930
1-chloro-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 107913663
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine
CID 106731043
(2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901402
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
2-(azepan-1-yl)-N-(2-chloroethyl)ethanamine
CID 53215657

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine?
The IUPAC name of 1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine (CID 107913722) is 1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine.
What is the SMILES notation for 1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine?
The canonical SMILES for 1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine is CCC(C)(CCl)NCCN1CCCC1.
What is the InChIKey of 1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine?
The InChIKey is VGMDJUBDKBSAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2/c1-3-11(2,10-12)13-6-9-14-7-4-5-8-14/h13H,3-10H2,1-2H3.
What are the key properties of 1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine?
1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine has a molecular weight of 218.77 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine is sourced from PubChem (CID 107913722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).