(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride

C13H25ClN2O — CID 119803734

IUPAC(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)C2CCNC2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-13(2)5-3-8-15(9-6-13)12(16)11-4-7-14-10-11;/h11,14H,3-10H2,1-2H3;1H
InChIKeyDFWHXSREGSHHSA-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.06
Rot. Bonds1

About (4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride

(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 119803734) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is (4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID119803734
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)C2CCNC2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-13(2)5-3-8-15(9-6-13)12(16)11-4-7-14-10-11;/h11,14H,3-10H2,1-2H3;1H
InChIKeyDFWHXSREGSHHSA-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride 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

pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
[4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 129495751
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone
CID 71929830
(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 154582456
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
(4-tert-butylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119787780
[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129491032
4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63125584
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of (4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride (CID 119803734) is (4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for (4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for (4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride is CC1(C)CCCN(C(=O)C2CCNC2)CC1.Cl.
What is the InChIKey of (4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The InChIKey is DFWHXSREGSHHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-13(2)5-3-8-15(9-6-13)12(16)11-4-7-14-10-11;/h11,14H,3-10H2,1-2H3;1H.
What are the key properties of (4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119803734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).