2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol

C11H23NO — CID 79359592

IUPAC2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol
SMILESCC(C)(O)CCNC1(C)CCCC1
InChIInChI=1S/C11H23NO/c1-10(2,13)8-9-12-11(3)6-4-5-7-11/h12-13H,4-9H2,1-3H3
InChIKeySOMMQGRGWFCDIH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.07
Rot. Bonds4

About 2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol

2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol (PubChem CID 79359592) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol
PubChem CID79359592
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol
SMILESCC(C)(O)CCNC1(C)CCCC1
InChIInChI=1S/C11H23NO/c1-10(2,13)8-9-12-11(3)6-4-5-7-11/h12-13H,4-9H2,1-3H3
InChIKeySOMMQGRGWFCDIH-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol (CID 79359592) is 2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol is CC(C)(O)CCNC1(C)CCCC1.
What is the InChIKey of 2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol?
The InChIKey is SOMMQGRGWFCDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,13)8-9-12-11(3)6-4-5-7-11/h12-13H,4-9H2,1-3H3.
What are the key properties of 2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol?
2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol is sourced from PubChem (CID 79359592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).