2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol

C15H29NO2 — CID 55087219

IUPAC2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol
SMILESCC1CCC(CO)(NC2CCCCCC2O)CC1
InChIInChI=1S/C15H29NO2/c1-12-7-9-15(11-17,10-8-12)16-13-5-3-2-4-6-14(13)18/h12-14,16-18H,2-11H2,1H3
InChIKeyREBUFPBTRWQKQE-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.21
Rot. Bonds3

About 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol

2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol (PubChem CID 55087219) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol
PubChem CID55087219
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol
SMILESCC1CCC(CO)(NC2CCCCCC2O)CC1
InChIInChI=1S/C15H29NO2/c1-12-7-9-15(11-17,10-8-12)16-13-5-3-2-4-6-14(13)18/h12-14,16-18H,2-11H2,1H3
InChIKeyREBUFPBTRWQKQE-UHFFFAOYSA-N
XLogP2.21
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol?
The IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol (CID 55087219) is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol?
The canonical SMILES for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol is CC1CCC(CO)(NC2CCCCCC2O)CC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol?
The InChIKey is REBUFPBTRWQKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12-7-9-15(11-17,10-8-12)16-13-5-3-2-4-6-14(13)18/h12-14,16-18H,2-11H2,1H3.
What are the key properties of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol?
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cycloheptan-1-ol is sourced from PubChem (CID 55087219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).