2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol

C12H25NO3 — CID 62609388

IUPAC2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol
SMILESOCCN(CCO)CC1CCCCCC1O
InChIInChI=1S/C12H25NO3/c14-8-6-13(7-9-15)10-11-4-2-1-3-5-12(11)16/h11-12,14-16H,1-10H2
InChIKeyXUFULAONUGLCGP-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.21
Rot. Bonds6

About 2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol

2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol (PubChem CID 62609388) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol
PubChem CID62609388
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol
SMILESOCCN(CCO)CC1CCCCCC1O
InChIInChI=1S/C12H25NO3/c14-8-6-13(7-9-15)10-11-4-2-1-3-5-12(11)16/h11-12,14-16H,1-10H2
InChIKeyXUFULAONUGLCGP-UHFFFAOYSA-N
XLogP0.21
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol (CID 62609388) is 2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol is OCCN(CCO)CC1CCCCCC1O.
What is the InChIKey of 2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is XUFULAONUGLCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c14-8-6-13(7-9-15)10-11-4-2-1-3-5-12(11)16/h11-12,14-16H,1-10H2.
What are the key properties of 2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol?
2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 62609388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).