3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol

C14H22N2O2 — CID 105415267

IUPAC3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol
SMILESCN(C)C1(CNCc2cccc(O)c2O)CCC1
InChIInChI=1S/C14H22N2O2/c1-16(2)14(7-4-8-14)10-15-9-11-5-3-6-12(17)13(11)18/h3,5-6,15,17-18H,4,7-10H2,1-2H3
InChIKeyUDTCSSGEQRHVPL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.67
Rot. Bonds5

About 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol

3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol (PubChem CID 105415267) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol
PubChem CID105415267
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol
SMILESCN(C)C1(CNCc2cccc(O)c2O)CCC1
InChIInChI=1S/C14H22N2O2/c1-16(2)14(7-4-8-14)10-15-9-11-5-3-6-12(17)13(11)18/h3,5-6,15,17-18H,4,7-10H2,1-2H3
InChIKeyUDTCSSGEQRHVPL-UHFFFAOYSA-N
XLogP1.67
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[[(1-ethylcyclobutyl)methylamino]methyl]benzene-1,2-diol
CID 103953663
N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912363
2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline
CID 83117063
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415496
N,N-dimethyl-1-[(quinolin-8-ylmethylamino)methyl]cyclobutan-1-amine
CID 105415743
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 115281056
3-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzene-1,2-diol
CID 114756017
3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol
CID 28622087
N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine
CID 83113145
3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 114331529
2-[2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetonitrile
CID 105414765
4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol
CID 105414681

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol?
The IUPAC name of 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol (CID 105415267) is 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol?
The canonical SMILES for 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol is CN(C)C1(CNCc2cccc(O)c2O)CCC1.
What is the InChIKey of 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol?
The InChIKey is UDTCSSGEQRHVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(2)14(7-4-8-14)10-15-9-11-5-3-6-12(17)13(11)18/h3,5-6,15,17-18H,4,7-10H2,1-2H3.
What are the key properties of 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol?
3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol has a molecular weight of 250.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol is sourced from PubChem (CID 105415267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).