1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol

C12H23NO2 — CID 104530214

IUPAC1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol
SMILESCOC1CCC(NCC2(O)CCC2)CC1
InChIInChI=1S/C12H23NO2/c1-15-11-5-3-10(4-6-11)13-9-12(14)7-2-8-12/h10-11,13-14H,2-9H2,1H3
InChIKeyAXZBTXWJBRPEQC-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds4

About 1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol

1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol (PubChem CID 104530214) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol
PubChem CID104530214
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol
SMILESCOC1CCC(NCC2(O)CCC2)CC1
InChIInChI=1S/C12H23NO2/c1-15-11-5-3-10(4-6-11)13-9-12(14)7-2-8-12/h10-11,13-14H,2-9H2,1H3
InChIKeyAXZBTXWJBRPEQC-UHFFFAOYSA-N
XLogP1.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-Fluorocyclobutyl)methylamino]cyclohexan-1-ol
CID 130617367
4-[(2-Hydroxyethyl)amino]cyclohexanol
CID 19593989
4-(4-Methoxybutylamino)cyclohexan-1-ol
CID 71011190
4-(3-Hydroxybutan-2-ylamino)cyclohexan-1-ol
CID 130709057
4-[[2-Hydroxy-3-(methylamino)propyl]amino]cyclohexan-1-ol
CID 141792155
4-(2-Methylbutan-2-yloxymethylamino)cyclohexan-1-ol
CID 163735187
3-[1-[(4-Hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride
CID 175697188
4-[(4-Methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol
CID 43147063
2-(Cyclobutylmethylamino)cyclohexan-1-ol
CID 60883763
1-(((1-Methoxypropan-2-yl)amino)methyl)cyclohexan-1-ol
CID 60896895
1-[(4-Methoxybutylamino)methyl]cyclohexan-1-ol
CID 61518977
2-(4-Methoxybutylamino)cyclohexan-1-ol
CID 61816196

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol (CID 104530214) is 1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol is COC1CCC(NCC2(O)CCC2)CC1.
What is the InChIKey of 1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol?
The InChIKey is AXZBTXWJBRPEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-15-11-5-3-10(4-6-11)13-9-12(14)7-2-8-12/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol?
1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 104530214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).