1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol

C11H23NO — CID 102547576

IUPAC1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1(CN)CC(C)C1
InChIInChI=1S/C11H23NO/c1-8(2)4-10(13)11(7-12)5-9(3)6-11/h8-10,13H,4-7,12H2,1-3H3
InChIKeyNLDWBORCQCDVJJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.77
Rot. Bonds4

About 1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol

1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol (PubChem CID 102547576) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol
PubChem CID102547576
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1(CN)CC(C)C1
InChIInChI=1S/C11H23NO/c1-8(2)4-10(13)11(7-12)5-9(3)6-11/h8-10,13H,4-7,12H2,1-3H3
InChIKeyNLDWBORCQCDVJJ-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[1-(aminomethyl)-3-methylcyclobutyl]propan-1-ol
CID 97035537
(1R)-1-[1-(aminomethyl)-3-methylcyclobutyl]pentan-1-ol
CID 97035451
1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol
CID 102551269
1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol
CID 79138322
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol
CID 97035266
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol
CID 97035285
1-[1-(hydroxymethyl)cyclobutyl]-3-methylbutan-1-ol
CID 102551279
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol
CID 97035352
[1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol
CID 102547503
3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol
CID 115011555
[3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine
CID 65138393
[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
CID 79137757

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol (CID 102547576) is 1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol is CC(C)CC(O)C1(CN)CC(C)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol?
The InChIKey is NLDWBORCQCDVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)4-10(13)11(7-12)5-9(3)6-11/h8-10,13H,4-7,12H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol?
1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol is sourced from PubChem (CID 102547576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).