1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol

C13H27NO — CID 65208192

IUPAC1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC(CC)N(C)CC1(O)CCCCC1
InChIInChI=1S/C13H27NO/c1-4-12(5-2)14(3)11-13(15)9-7-6-8-10-13/h12,15H,4-11H2,1-3H3
InChIKeyUJRFSELJSVWPHR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.80
Rot. Bonds5

About 1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol

1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65208192) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65208192
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC(CC)N(C)CC1(O)CCCCC1
InChIInChI=1S/C13H27NO/c1-4-12(5-2)14(3)11-13(15)9-7-6-8-10-13/h12,15H,4-11H2,1-3H3
InChIKeyUJRFSELJSVWPHR-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol (CID 65208192) is 1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol is CCC(CC)N(C)CC1(O)CCCCC1.
What is the InChIKey of 1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is UJRFSELJSVWPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-12(5-2)14(3)11-13(15)9-7-6-8-10-13/h12,15H,4-11H2,1-3H3.
What are the key properties of 1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol?
1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).