[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol

C16H29NO2 — CID 63746094

IUPAC[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
SMILESCN(CC1CC2CCC1C2)CC1(CO)CCCOC1
InChIInChI=1S/C16H29NO2/c1-17(9-15-8-13-3-4-14(15)7-13)10-16(11-18)5-2-6-19-12-16/h13-15,18H,2-12H2,1H3
InChIKeyNVOMDAHNMOOSLG-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.14
Rot. Bonds5

About [3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol

[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol (PubChem CID 63746094) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is [3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
PubChem CID63746094
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
SMILESCN(CC1CC2CCC1C2)CC1(CO)CCCOC1
InChIInChI=1S/C16H29NO2/c1-17(9-15-8-13-3-4-14(15)7-13)10-16(11-18)5-2-6-19-12-16/h13-15,18H,2-12H2,1H3
InChIKeyNVOMDAHNMOOSLG-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol with MolForge

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Related Compounds

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 55233839
N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63684055
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde
CID 55242231
N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 63682561
[3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine
CID 103724691
2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide
CID 65492128
[3-[[methyl(2-methylsulfonylethyl)amino]methyl]oxan-3-yl]methanol
CID 79858292
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63742117
[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol
CID 63747610
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892270
2-methyl-N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63865057
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175

Frequently Asked Questions

What is the IUPAC name of [3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol?
The IUPAC name of [3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol (CID 63746094) is [3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol is CN(CC1CC2CCC1C2)CC1(CO)CCCOC1.
What is the InChIKey of [3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol?
The InChIKey is NVOMDAHNMOOSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-17(9-15-8-13-3-4-14(15)7-13)10-16(11-18)5-2-6-19-12-16/h13-15,18H,2-12H2,1H3.
What are the key properties of [3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol?
[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol has a molecular weight of 267.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol is sourced from PubChem (CID 63746094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).