1-[(2-methylpropylamino)methyl]cyclohexan-1-ol

C11H23NO — CID 60904296

IUPAC1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CNCC1(O)CCCCC1
InChIInChI=1S/C11H23NO/c1-10(2)8-12-9-11(13)6-4-3-5-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeyUCHPFIUCNKHJLT-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds4

About 1-[(2-methylpropylamino)methyl]cyclohexan-1-ol

1-[(2-methylpropylamino)methyl]cyclohexan-1-ol (PubChem CID 60904296) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-[(2-methylpropylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
PubChem CID60904296
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CNCC1(O)CCCCC1
InChIInChI=1S/C11H23NO/c1-10(2)8-12-9-11(13)6-4-3-5-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeyUCHPFIUCNKHJLT-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-methylpropylamino)methyl]cyclohexan-1-ol (CID 60904296) is 1-[(2-methylpropylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-methylpropylamino)methyl]cyclohexan-1-ol is CC(C)CNCC1(O)CCCCC1.
What is the InChIKey of 1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
The InChIKey is UCHPFIUCNKHJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)8-12-9-11(13)6-4-3-5-7-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
1-[(2-methylpropylamino)methyl]cyclohexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 60904296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).