2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol

C15H31NO — CID 2846576

IUPAC2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol
SMILESCC1CCCC(NC(C)CCCC(C)(C)O)C1
InChIInChI=1S/C15H31NO/c1-12-7-5-9-14(11-12)16-13(2)8-6-10-15(3,4)17/h12-14,16-17H,5-11H2,1-4H3
InChIKeyMIKSTOQTQHEXAR-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.48
Rot. Bonds6

About 2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol

2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol (PubChem CID 2846576) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol.

Molecular Properties

Compound Name2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol
PubChem CID2846576
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol
SMILESCC1CCCC(NC(C)CCCC(C)(C)O)C1
InChIInChI=1S/C15H31NO/c1-12-7-5-9-14(11-12)16-13(2)8-6-10-15(3,4)17/h12-14,16-17H,5-11H2,1-4H3
InChIKeyMIKSTOQTQHEXAR-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol?
The IUPAC name of 2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol (CID 2846576) is 2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol.
What is the SMILES notation for 2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol?
The canonical SMILES for 2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol is CC1CCCC(NC(C)CCCC(C)(C)O)C1.
What is the InChIKey of 2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol?
The InChIKey is MIKSTOQTQHEXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12-7-5-9-14(11-12)16-13(2)8-6-10-15(3,4)17/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol?
2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol has a molecular weight of 241.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3-methylcyclohexyl)amino]heptan-2-ol is sourced from PubChem (CID 2846576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).