N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine

C11H23N3O — CID 115249268

IUPACN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCC2(CN)COC2)CC1
InChIInChI=1S/C11H23N3O/c1-14-4-2-10(3-5-14)13-7-11(6-12)8-15-9-11/h10,13H,2-9,12H2,1H3
InChIKeyJIZKWUCRVJGZFC-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.35
Rot. Bonds4

About N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine (PubChem CID 115249268) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine
PubChem CID115249268
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCC2(CN)COC2)CC1
InChIInChI=1S/C11H23N3O/c1-14-4-2-10(3-5-14)13-7-11(6-12)8-15-9-11/h10,13H,2-9,12H2,1H3
InChIKeyJIZKWUCRVJGZFC-UHFFFAOYSA-N
XLogP-0.35
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine
CID 13404591
[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874838
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 103904879
4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol
CID 163037539
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine
CID 167504083
1-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]pyrrolidin-3-amine
CID 115244573
1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine
CID 103903194
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115244179
1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
CID 103903498
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine (CID 115249268) is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine is CN1CCC(NCC2(CN)COC2)CC1.
What is the InChIKey of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is JIZKWUCRVJGZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-14-4-2-10(3-5-14)13-7-11(6-12)8-15-9-11/h10,13H,2-9,12H2,1H3.
What are the key properties of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine?
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 213.32 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 115249268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).