1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol

C11H23NO — CID 115756769

IUPAC1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol
SMILESCCC(CC)CNCC1(O)CCC1
InChIInChI=1S/C11H23NO/c1-3-10(4-2)8-12-9-11(13)6-5-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeySRDMGNOJGUJGQR-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds6

About 1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol

1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol (PubChem CID 115756769) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol
PubChem CID115756769
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol
SMILESCCC(CC)CNCC1(O)CCC1
InChIInChI=1S/C11H23NO/c1-3-10(4-2)8-12-9-11(13)6-5-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeySRDMGNOJGUJGQR-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol
CID 106115528
1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65121102
[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
CID 112703676
1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
CID 115692707
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933
N-[(1-cyclopropylcyclobutyl)methyl]-2-ethylbutan-1-amine
CID 115757341
1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210997
3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid
CID 65122525
1-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]cycloheptan-1-ol
CID 107442354
ethyl 3-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 103253206
2-[1-[(2-ethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104874038

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol (CID 115756769) is 1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol is CCC(CC)CNCC1(O)CCC1.
What is the InChIKey of 1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol?
The InChIKey is SRDMGNOJGUJGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-10(4-2)8-12-9-11(13)6-5-7-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol?
1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 115756769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).