2-(propan-2-ylamino)cyclohexan-1-ol

C9H19NO — CID 5213647

IUPAC2-(propan-2-ylamino)cyclohexan-1-ol
SMILESCC(C)NC1CCCCC1O
InChIInChI=1S/C9H19NO/c1-7(2)10-8-5-3-4-6-9(8)11/h7-11H,3-6H2,1-2H3
InChIKeyNXBJSUOOKXVSFX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.29
Rot. Bonds2

About 2-(propan-2-ylamino)cyclohexan-1-ol

2-(propan-2-ylamino)cyclohexan-1-ol (PubChem CID 5213647) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(propan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(propan-2-ylamino)cyclohexan-1-ol
PubChem CID5213647
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(propan-2-ylamino)cyclohexan-1-ol
SMILESCC(C)NC1CCCCC1O
InChIInChI=1S/C9H19NO/c1-7(2)10-8-5-3-4-6-9(8)11/h7-11H,3-6H2,1-2H3
InChIKeyNXBJSUOOKXVSFX-UHFFFAOYSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 2-(propan-2-ylamino)cyclohexan-1-ol (CID 5213647) is 2-(propan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(propan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(propan-2-ylamino)cyclohexan-1-ol is CC(C)NC1CCCCC1O.
What is the InChIKey of 2-(propan-2-ylamino)cyclohexan-1-ol?
The InChIKey is NXBJSUOOKXVSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)10-8-5-3-4-6-9(8)11/h7-11H,3-6H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)cyclohexan-1-ol?
2-(propan-2-ylamino)cyclohexan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 5213647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).