[2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine

C13H28N2 — CID 117019709

IUPAC[2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine
SMILESCC(C)CCN1CCCC(CN)C1(C)C
InChIInChI=1S/C13H28N2/c1-11(2)7-9-15-8-5-6-12(10-14)13(15,3)4/h11-12H,5-10,14H2,1-4H3
InChIKeyDXOAPNGEIJAJOL-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds4

About [2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine

[2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine (PubChem CID 117019709) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is [2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine
PubChem CID117019709
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name[2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine
SMILESCC(C)CCN1CCCC(CN)C1(C)C
InChIInChI=1S/C13H28N2/c1-11(2)7-9-15-8-5-6-12(10-14)13(15,3)4/h11-12H,5-10,14H2,1-4H3
InChIKeyDXOAPNGEIJAJOL-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine 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

[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine
CID 117019700
[1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
CID 117017613
[1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine
CID 117019699
8,8-dimethyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64876622
2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine
CID 117021450
3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64876284
methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate
CID 83847995
2,2-difluoro-1-(3-methylbutyl)piperidine
CID 89197831
2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine
CID 117024798
[3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83157442
[1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine
CID 117019706

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine?
The IUPAC name of [2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine (CID 117019709) is [2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine?
The canonical SMILES for [2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine is CC(C)CCN1CCCC(CN)C1(C)C.
What is the InChIKey of [2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine?
The InChIKey is DXOAPNGEIJAJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)7-9-15-8-5-6-12(10-14)13(15,3)4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of [2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine?
[2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 117019709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).