3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol

C14H27NO2 — CID 103061306

IUPAC3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CC1COCCC1O)C1CCCCCC1
InChIInChI=1S/C14H27NO2/c1-15(13-6-4-2-3-5-7-13)10-12-11-17-9-8-14(12)16/h12-14,16H,2-11H2,1H3
InChIKeyVCVPGUJLSNQRDN-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.04
Rot. Bonds3

About 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol

3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 103061306) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol
PubChem CID103061306
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CC1COCCC1O)C1CCCCCC1
InChIInChI=1S/C14H27NO2/c1-15(13-6-4-2-3-5-7-13)10-12-11-17-9-8-14(12)16/h12-14,16H,2-11H2,1H3
InChIKeyVCVPGUJLSNQRDN-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol
CID 62609891
3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol
CID 103061455
N,N-dimethyl-3-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine
CID 143952966
3-[[butyl(methyl)amino]methyl]oxan-4-ol
CID 103061166
4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 82754506
2-[[methyl-(4-methylcyclohexyl)amino]methyl]cycloheptan-1-ol
CID 62611154
3-[(dipropylamino)methyl]oxan-4-ol
CID 103061158
3-(2-hydroxyethyl)oxan-4-ol
CID 58654187
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 103061404
3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol
CID 103061552
2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752424
2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
CID 62614703

Frequently Asked Questions

What is the IUPAC name of 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol (CID 103061306) is 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol is CN(CC1COCCC1O)C1CCCCCC1.
What is the InChIKey of 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is VCVPGUJLSNQRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-15(13-6-4-2-3-5-7-13)10-12-11-17-9-8-14(12)16/h12-14,16H,2-11H2,1H3.
What are the key properties of 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol?
3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 241.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 103061306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).