1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride

C12H27ClN2 — CID 130762964

IUPAC1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride
SMILESCCC(C)(C)CN1CCC(C)(N)CC1.Cl
InChIInChI=1S/C12H26N2.ClH/c1-5-11(2,3)10-14-8-6-12(4,13)7-9-14;/h5-10,13H2,1-4H3;1H
InChIKeyNGBLILNRYFVIGY-UHFFFAOYSA-N
MW234.81 g/mol
LogP2.66
Rot. Bonds3

About 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride

1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride (PubChem CID 130762964) has the molecular formula C12H27ClN2 and a molecular weight of 234.81 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride
PubChem CID130762964
Molecular FormulaC12H27ClN2
Molecular Weight234.81 g/mol
Exact Mass234.19
IUPAC Name1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride
SMILESCCC(C)(C)CN1CCC(C)(N)CC1.Cl
InChIInChI=1S/C12H26N2.ClH/c1-5-11(2,3)10-14-8-6-12(4,13)7-9-14;/h5-10,13H2,1-4H3;1H
InChIKeyNGBLILNRYFVIGY-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.81
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;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

1-(3-amino-2,2-dimethylpropyl)-4-methylpiperidin-4-ol
CID 81115275
1-[3-(2,2-dimethylbutyl)-3-azaspiro[5.5]undecan-9-yl]ethanone
CID 154681003
1-hexyl-4-methylpiperidin-4-amine
CID 142516140
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 63159907
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63159863
1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine
CID 134590740
3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropan-1-amine
CID 55156710
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
CID 63159648
2-[(4,4-diethylpiperidin-1-yl)methyl]-2-methylbutan-1-amine
CID 63159996
1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine
CID 115027592
1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol
CID 81115613
1-but-3-enyl-4-methylpiperidin-4-amine
CID 130878707

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride (CID 130762964) is 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride is CCC(C)(C)CN1CCC(C)(N)CC1.Cl.
What is the InChIKey of 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride?
The InChIKey is NGBLILNRYFVIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.ClH/c1-5-11(2,3)10-14-8-6-12(4,13)7-9-14;/h5-10,13H2,1-4H3;1H.
What are the key properties of 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride?
1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride has a molecular weight of 234.81 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 130762964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).