[1-[[amino(methyl)amino]methyl]cyclobutyl]methanol

C7H16N2O — CID 105428679

IUPAC[1-[[amino(methyl)amino]methyl]cyclobutyl]methanol
SMILESCN(N)CC1(CO)CCC1
InChIInChI=1S/C7H16N2O/c1-9(8)5-7(6-10)3-2-4-7/h10H,2-6,8H2,1H3
InChIKeyXXCJJISGHJSSCA-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.05
Rot. Bonds3

About [1-[[amino(methyl)amino]methyl]cyclobutyl]methanol

[1-[[amino(methyl)amino]methyl]cyclobutyl]methanol (PubChem CID 105428679) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is [1-[[amino(methyl)amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[amino(methyl)amino]methyl]cyclobutyl]methanol
PubChem CID105428679
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name[1-[[amino(methyl)amino]methyl]cyclobutyl]methanol
SMILESCN(N)CC1(CO)CCC1
InChIInChI=1S/C7H16N2O/c1-9(8)5-7(6-10)3-2-4-7/h10H,2-6,8H2,1H3
InChIKeyXXCJJISGHJSSCA-UHFFFAOYSA-N
XLogP-0.05
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 115247051
[1-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclohexyl]methanol
CID 62266701
[1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol
CID 62271498
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide
CID 131892402
[1-[[(4-aminocyclohexyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 56741237
[1-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclopentyl]methanol
CID 62266180
[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methanol
CID 62272579
[1-[[bis(2-methylpropyl)amino]methyl]cyclopentyl]methanol
CID 62270231
[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol
CID 115246801
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
[4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanol
CID 105417449
[1-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]cyclobutyl]methanol
CID 115247057

Frequently Asked Questions

What is the IUPAC name of [1-[[amino(methyl)amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[amino(methyl)amino]methyl]cyclobutyl]methanol (CID 105428679) is [1-[[amino(methyl)amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[amino(methyl)amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[amino(methyl)amino]methyl]cyclobutyl]methanol is CN(N)CC1(CO)CCC1.
What is the InChIKey of [1-[[amino(methyl)amino]methyl]cyclobutyl]methanol?
The InChIKey is XXCJJISGHJSSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9(8)5-7(6-10)3-2-4-7/h10H,2-6,8H2,1H3.
What are the key properties of [1-[[amino(methyl)amino]methyl]cyclobutyl]methanol?
[1-[[amino(methyl)amino]methyl]cyclobutyl]methanol has a molecular weight of 144.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[amino(methyl)amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 105428679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).