1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol

C12H25NO3 — CID 21302975

IUPAC1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CN(CCO)CCO)CC1
InChIInChI=1S/C12H25NO3/c1-11-2-4-12(16,5-3-11)10-13(6-8-14)7-9-15/h11,14-16H,2-10H2,1H3
InChIKeyGRMQQAFMADHUET-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.21
Rot. Bonds6

About 1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 21302975) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID21302975
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CN(CCO)CCO)CC1
InChIInChI=1S/C12H25NO3/c1-11-2-4-12(16,5-3-11)10-13(6-8-14)7-9-15/h11,14-16H,2-10H2,1H3
InChIKeyGRMQQAFMADHUET-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 1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol (CID 21302975) is 1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CN(CCO)CCO)CC1.
What is the InChIKey of 1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is GRMQQAFMADHUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11-2-4-12(16,5-3-11)10-13(6-8-14)7-9-15/h11,14-16H,2-10H2,1H3.
What are the key properties of 1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-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 1-[[bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 21302975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).