3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol

C16H31NO — CID 65105698

IUPAC3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C16H31NO/c1-6-16(18,7-2)11-17-13-14(3,4)12-8-9-15(13,5)10-12/h12-13,17-18H,6-11H2,1-5H3
InChIKeyRVNBKTRBUBTSHP-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.34
Rot. Bonds5

About 3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol

3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol (PubChem CID 65105698) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol
PubChem CID65105698
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C16H31NO/c1-6-16(18,7-2)11-17-13-14(3,4)12-8-9-15(13,5)10-12/h12-13,17-18H,6-11H2,1-5H3
InChIKeyRVNBKTRBUBTSHP-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol (CID 65105698) is 3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol?
The InChIKey is RVNBKTRBUBTSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-16(18,7-2)11-17-13-14(3,4)12-8-9-15(13,5)10-12/h12-13,17-18H,6-11H2,1-5H3.
What are the key properties of 3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol?
3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol has a molecular weight of 253.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65105698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).