1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol

C13H25NO2 — CID 65105371

IUPAC1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1(C)CC(NCC2(O)CCCC2)CCO1
InChIInChI=1S/C13H25NO2/c1-12(2)9-11(5-8-16-12)14-10-13(15)6-3-4-7-13/h11,14-15H,3-10H2,1-2H3
InChIKeyNONBHPNEFKZBBR-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.84
Rot. Bonds3

About 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol

1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 65105371) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID65105371
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1(C)CC(NCC2(O)CCCC2)CCO1
InChIInChI=1S/C13H25NO2/c1-12(2)9-11(5-8-16-12)14-10-13(15)6-3-4-7-13/h11,14-15H,3-10H2,1-2H3
InChIKeyNONBHPNEFKZBBR-UHFFFAOYSA-N
XLogP1.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118095
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
CID 81130792
2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114756114
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974
4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65115943
1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol
CID 60970973
2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]oxan-4-amine
CID 107417295
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine
CID 114472487
1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol
CID 106284664
1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol
CID 79903917

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol (CID 65105371) is 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol is CC1(C)CC(NCC2(O)CCCC2)CCO1.
What is the InChIKey of 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is NONBHPNEFKZBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2)9-11(5-8-16-12)14-10-13(15)6-3-4-7-13/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol?
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).