[1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine

C13H26N2 — CID 114592541

IUPAC[1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine
SMILESCC1CC(C)C(C)N(C2(CN)CCC2)C1
InChIInChI=1S/C13H26N2/c1-10-7-11(2)12(3)15(8-10)13(9-14)5-4-6-13/h10-12H,4-9,14H2,1-3H3
InChIKeyFOGNDTUIAVFFSD-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.23
Rot. Bonds2

About [1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine

[1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine (PubChem CID 114592541) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is [1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine
PubChem CID114592541
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name[1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine
SMILESCC1CC(C)C(C)N(C2(CN)CCC2)C1
InChIInChI=1S/C13H26N2/c1-10-7-11(2)12(3)15(8-10)13(9-14)5-4-6-13/h10-12H,4-9,14H2,1-3H3
InChIKeyFOGNDTUIAVFFSD-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4-Dimethylpiperazin-2-yl)-3-methylpentan-1-amine
CID 3052885
2-(3,5-Dimethylpiperidin-1-yl)-2-methylpropan-1-amine
CID 24693214
1-(4-Methylpiperidin-1-yl)propan-2-amine
CID 12700153
2-(3-Methylpiperidin-1-yl)propan-1-amine
CID 16641456
1-(3-Methylpiperidin-1-yl)propan-2-amine
CID 16783223
1-(3,5-Dimethylpiperidin-1-yl)propan-2-amine
CID 16794632
2-Methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
CID 24697345
{1-[4-(Propan-2-yl)piperazin-1-yl]cyclopentyl}methanamine
CID 43585084
1-(1-Cyclobutylpiperidin-3-yl)ethan-1-amine
CID 64026417
4-Amino-tetramethylpiperidine
CID 18424017
C-[1-(4-Methyl-piperidin-1-yl)-cyclohexyl]-methylamine
CID 9079359
3-Methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 16791955

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine (CID 114592541) is [1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine is CC1CC(C)C(C)N(C2(CN)CCC2)C1.
What is the InChIKey of [1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine?
The InChIKey is FOGNDTUIAVFFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10-7-11(2)12(3)15(8-10)13(9-14)5-4-6-13/h10-12H,4-9,14H2,1-3H3.
What are the key properties of [1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine?
[1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine has a molecular weight of 210.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 114592541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).