2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol

C14H27NO2 — CID 62610609

IUPAC2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol
SMILESCN(CC1CCCO1)CC1CCCCCC1O
InChIInChI=1S/C14H27NO2/c1-15(11-13-7-5-9-17-13)10-12-6-3-2-4-8-14(12)16/h12-14,16H,2-11H2,1H3
InChIKeyJYQPWNOYBOXQIJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.04
Rot. Bonds4

About 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol

2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol (PubChem CID 62610609) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol
PubChem CID62610609
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol
SMILESCN(CC1CCCO1)CC1CCCCCC1O
InChIInChI=1S/C14H27NO2/c1-15(11-13-7-5-9-17-13)10-12-6-3-2-4-8-14(12)16/h12-14,16H,2-11H2,1H3
InChIKeyJYQPWNOYBOXQIJ-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol (CID 62610609) is 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol is CN(CC1CCCO1)CC1CCCCCC1O.
What is the InChIKey of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is JYQPWNOYBOXQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-15(11-13-7-5-9-17-13)10-12-6-3-2-4-8-14(12)16/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol?
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 62610609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).