4-(but-3-yn-2-ylamino)cyclohexan-1-ol

C10H17NO — CID 106595269

IUPAC4-(but-3-yn-2-ylamino)cyclohexan-1-ol
SMILESC#CC(C)NC1CCC(O)CC1
InChIInChI=1S/C10H17NO/c1-3-8(2)11-9-4-6-10(12)7-5-9/h1,8-12H,4-7H2,2H3
InChIKeyHDKRXMZSPLFIAZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.90
Rot. Bonds2

About 4-(but-3-yn-2-ylamino)cyclohexan-1-ol

4-(but-3-yn-2-ylamino)cyclohexan-1-ol (PubChem CID 106595269) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-(but-3-yn-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(but-3-yn-2-ylamino)cyclohexan-1-ol
PubChem CID106595269
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-(but-3-yn-2-ylamino)cyclohexan-1-ol
SMILESC#CC(C)NC1CCC(O)CC1
InChIInChI=1S/C10H17NO/c1-3-8(2)11-9-4-6-10(12)7-5-9/h1,8-12H,4-7H2,2H3
InChIKeyHDKRXMZSPLFIAZ-UHFFFAOYSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylamino)cyclohexan-1-ol
CID 11571804
4-(2-Methylpropylamino)cyclohexan-1-ol
CID 8024862
4-(2,2-Difluoropropylamino)cyclohexan-1-ol
CID 130636934
4-(2,2-Difluorobutylamino)cyclohexan-1-ol
CID 137318059
4-(1,1-Difluoropropan-2-ylamino)cyclohexan-1-ol
CID 102867805
4-(4,4,4-Trifluorobutan-2-ylamino)cyclohexan-1-ol
CID 103904568
4-(6,6,6-Trifluorohexan-2-ylamino)cyclohexan-1-ol
CID 104925226
4-[(2-Fluoroethyl)amino]cyclohexanol
CID 128366834
4-(1,1,1-Trifluoropropan-2-ylamino)cyclohexan-1-ol
CID 130609652
4-[(4-Methylpentan-2-YL)amino]cyclohexan-1-OL
CID 43193900
4-(Cycloheptylamino)cyclohexanol
CID 6456420
4-(Propylamino)cyclohexan-1-ol
CID 13670659

Frequently Asked Questions

What is the IUPAC name of 4-(but-3-yn-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(but-3-yn-2-ylamino)cyclohexan-1-ol (CID 106595269) is 4-(but-3-yn-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(but-3-yn-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(but-3-yn-2-ylamino)cyclohexan-1-ol is C#CC(C)NC1CCC(O)CC1.
What is the InChIKey of 4-(but-3-yn-2-ylamino)cyclohexan-1-ol?
The InChIKey is HDKRXMZSPLFIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-8(2)11-9-4-6-10(12)7-5-9/h1,8-12H,4-7H2,2H3.
What are the key properties of 4-(but-3-yn-2-ylamino)cyclohexan-1-ol?
4-(but-3-yn-2-ylamino)cyclohexan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-yn-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 106595269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).