4-amino-1-pentan-2-ylcyclohexan-1-ol

C11H23NO — CID 107889037

IUPAC4-amino-1-pentan-2-ylcyclohexan-1-ol
SMILESCCCC(C)C1(O)CCC(N)CC1
InChIInChI=1S/C11H23NO/c1-3-4-9(2)11(13)7-5-10(12)6-8-11/h9-10,13H,3-8,12H2,1-2H3
InChIKeyXZBNTIJWPIGPPT-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.06
Rot. Bonds3

About 4-amino-1-pentan-2-ylcyclohexan-1-ol

4-amino-1-pentan-2-ylcyclohexan-1-ol (PubChem CID 107889037) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-amino-1-pentan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-pentan-2-ylcyclohexan-1-ol
PubChem CID107889037
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-amino-1-pentan-2-ylcyclohexan-1-ol
SMILESCCCC(C)C1(O)CCC(N)CC1
InChIInChI=1S/C11H23NO/c1-3-4-9(2)11(13)7-5-10(12)6-8-11/h9-10,13H,3-8,12H2,1-2H3
InChIKeyXZBNTIJWPIGPPT-UHFFFAOYSA-N
XLogP2.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-pentan-2-ylcyclohexan-1-ol?
The IUPAC name of 4-amino-1-pentan-2-ylcyclohexan-1-ol (CID 107889037) is 4-amino-1-pentan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-pentan-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-amino-1-pentan-2-ylcyclohexan-1-ol is CCCC(C)C1(O)CCC(N)CC1.
What is the InChIKey of 4-amino-1-pentan-2-ylcyclohexan-1-ol?
The InChIKey is XZBNTIJWPIGPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-4-9(2)11(13)7-5-10(12)6-8-11/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of 4-amino-1-pentan-2-ylcyclohexan-1-ol?
4-amino-1-pentan-2-ylcyclohexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-pentan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107889037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).