1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol

C14H25NO2 — CID 65123371

IUPAC1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCC2CCC=CO2)CCCCCC1
InChIInChI=1S/C14H25NO2/c16-14(8-4-1-2-5-9-14)12-15-11-13-7-3-6-10-17-13/h6,10,13,15-16H,1-5,7-9,11-12H2
InChIKeyIKPDLQLANNVFET-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.35
Rot. Bonds4

About 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol

1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol (PubChem CID 65123371) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol
PubChem CID65123371
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCC2CCC=CO2)CCCCCC1
InChIInChI=1S/C14H25NO2/c16-14(8-4-1-2-5-9-14)12-15-11-13-7-3-6-10-17-13/h6,10,13,15-16H,1-5,7-9,11-12H2
InChIKeyIKPDLQLANNVFET-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol
CID 65116457
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 107095396
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine
CID 62064257
1-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
1-[(oxan-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65109047
3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine
CID 107094618
1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 63490303
2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol
CID 65211425
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
CID 62064941
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 62065814

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol (CID 65123371) is 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol is OC1(CNCC2CCC=CO2)CCCCCC1.
What is the InChIKey of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol?
The InChIKey is IKPDLQLANNVFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-14(8-4-1-2-5-9-14)12-15-11-13-7-3-6-10-17-13/h6,10,13,15-16H,1-5,7-9,11-12H2.
What are the key properties of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol?
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 65123371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).