3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine

C12H25N3 — CID 115214151

IUPAC3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine
SMILESCN1CCC(CNCC2CC(N)C2)CC1
InChIInChI=1S/C12H25N3/c1-15-4-2-10(3-5-15)8-14-9-11-6-12(13)7-11/h10-12,14H,2-9,13H2,1H3
InChIKeyIAFGSOXZADZADE-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.66
Rot. Bonds4

About 3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine

3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine (PubChem CID 115214151) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine
PubChem CID115214151
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine
SMILESCN1CCC(CNCC2CC(N)C2)CC1
InChIInChI=1S/C12H25N3/c1-15-4-2-10(3-5-15)8-14-9-11-6-12(13)7-11/h10-12,14H,2-9,13H2,1H3
InChIKeyIAFGSOXZADZADE-UHFFFAOYSA-N
XLogP0.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine with MolForge

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Related Compounds

1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 63243077
3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214441
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 55101098
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115244179
(E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine
CID 107898886
2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 64583444
1-(1-methylpiperidin-4-yl)-N-(piperidin-2-ylmethyl)methanamine
CID 106633809
N-methyl-1-(1-methylpiperidin-4-yl)methanamine;molecular hydrogen
CID 142232985
1-cyclopropyl-2-[(1-methylpiperidin-4-yl)methylamino]ethanol
CID 63295066

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine (CID 115214151) is 3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine is CN1CCC(CNCC2CC(N)C2)CC1.
What is the InChIKey of 3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine?
The InChIKey is IAFGSOXZADZADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-15-4-2-10(3-5-15)8-14-9-11-6-12(13)7-11/h10-12,14H,2-9,13H2,1H3.
What are the key properties of 3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine?
3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).