3-(butylamino)cyclohexan-1-ol

C10H21NO — CID 43751404

IUPAC3-(butylamino)cyclohexan-1-ol
SMILESCCCCNC1CCCC(O)C1
InChIInChI=1S/C10H21NO/c1-2-3-7-11-9-5-4-6-10(12)8-9/h9-12H,2-8H2,1H3
InChIKeyDLWQKHNDXNXUNL-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds4

About 3-(butylamino)cyclohexan-1-ol

3-(butylamino)cyclohexan-1-ol (PubChem CID 43751404) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(butylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(butylamino)cyclohexan-1-ol
PubChem CID43751404
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(butylamino)cyclohexan-1-ol
SMILESCCCCNC1CCCC(O)C1
InChIInChI=1S/C10H21NO/c1-2-3-7-11-9-5-4-6-10(12)8-9/h9-12H,2-8H2,1H3
InChIKeyDLWQKHNDXNXUNL-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)cyclohexan-1-ol?
The IUPAC name of 3-(butylamino)cyclohexan-1-ol (CID 43751404) is 3-(butylamino)cyclohexan-1-ol.
What is the SMILES notation for 3-(butylamino)cyclohexan-1-ol?
The canonical SMILES for 3-(butylamino)cyclohexan-1-ol is CCCCNC1CCCC(O)C1.
What is the InChIKey of 3-(butylamino)cyclohexan-1-ol?
The InChIKey is DLWQKHNDXNXUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-7-11-9-5-4-6-10(12)8-9/h9-12H,2-8H2,1H3.
What are the key properties of 3-(butylamino)cyclohexan-1-ol?
3-(butylamino)cyclohexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)cyclohexan-1-ol is sourced from PubChem (CID 43751404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).