3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine

C12H26N2 — CID 79408656

IUPAC3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine
SMILESCC(CN)C(C)N1CCCC(C)(C)C1
InChIInChI=1S/C12H26N2/c1-10(8-13)11(2)14-7-5-6-12(3,4)9-14/h10-11H,5-9,13H2,1-4H3
InChIKeySDEPJWISXMEQDK-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds3

About 3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine

3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine (PubChem CID 79408656) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine
PubChem CID79408656
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine
SMILESCC(CN)C(C)N1CCCC(C)(C)C1
InChIInChI=1S/C12H26N2/c1-10(8-13)11(2)14-7-5-6-12(3,4)9-14/h10-11H,5-9,13H2,1-4H3
InChIKeySDEPJWISXMEQDK-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408655
3-amino-2-(3,3-dimethylpiperidin-1-yl)propan-1-ol
CID 104711025
3,3-dimethyl-1-pentan-2-ylpiperidine
CID 59678340
3,3-dimethyl-1-propan-2-ylazepane
CID 58110344
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
CID 165121785
2-methyl-3-thiomorpholin-4-ylbutan-1-amine
CID 79414847
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylbutan-1-amine
CID 107456007
4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
CID 66427408
2-(3,3-dimethylpiperidin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 103569630
4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine
CID 64708691
2-(3,3-dimethylazetidin-1-yl)propan-1-amine
CID 79677925
3,3-dimethyl-1-pentadecan-8-ylpiperidine
CID 139447357

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine?
The IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine (CID 79408656) is 3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine?
The canonical SMILES for 3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine is CC(CN)C(C)N1CCCC(C)(C)C1.
What is the InChIKey of 3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine?
The InChIKey is SDEPJWISXMEQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(8-13)11(2)14-7-5-6-12(3,4)9-14/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine?
3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 79408656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).