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

C15H29NO2 — CID 55094817

IUPAC2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol
SMILESCN(CC1CCCCO1)CC1CCCCCC1O
InChIInChI=1S/C15H29NO2/c1-16(12-14-8-5-6-10-18-14)11-13-7-3-2-4-9-15(13)17/h13-15,17H,2-12H2,1H3
InChIKeyXJDHWKOBAQDVKD-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.43
Rot. Bonds4

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

2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol (PubChem CID 55094817) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol
PubChem CID55094817
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol
SMILESCN(CC1CCCCO1)CC1CCCCCC1O
InChIInChI=1S/C15H29NO2/c1-16(12-14-8-5-6-10-18-14)11-13-7-3-2-4-9-15(13)17/h13-15,17H,2-12H2,1H3
InChIKeyXJDHWKOBAQDVKD-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol (CID 55094817) is 2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol is CN(CC1CCCCO1)CC1CCCCCC1O.
What is the InChIKey of 2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is XJDHWKOBAQDVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-16(12-14-8-5-6-10-18-14)11-13-7-3-2-4-9-15(13)17/h13-15,17H,2-12H2,1H3.
What are the key properties of 2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol?
2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 55094817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).