1-azido-4-cyclohexylbutan-2-ol

C10H19N3O — CID 143558147

IUPAC1-azido-4-cyclohexylbutan-2-ol
SMILES[N-]=[N+]=NCC(O)CCC1CCCCC1
InChIInChI=1S/C10H19N3O/c11-13-12-8-10(14)7-6-9-4-2-1-3-5-9/h9-10,14H,1-8H2
InChIKeyRQASAXHFDDCNAX-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.02
Rot. Bonds5

About 1-azido-4-cyclohexylbutan-2-ol

1-azido-4-cyclohexylbutan-2-ol (PubChem CID 143558147) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-azido-4-cyclohexylbutan-2-ol.

Molecular Properties

Compound Name1-azido-4-cyclohexylbutan-2-ol
PubChem CID143558147
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-azido-4-cyclohexylbutan-2-ol
SMILES[N-]=[N+]=NCC(O)CCC1CCCCC1
InChIInChI=1S/C10H19N3O/c11-13-12-8-10(14)7-6-9-4-2-1-3-5-9/h9-10,14H,1-8H2
InChIKeyRQASAXHFDDCNAX-UHFFFAOYSA-N
XLogP3.02
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1,5-dicyclohexylpentan-3-ol
CID 56981010
(2S)-4-cyclohexylbutane-1,2-diol
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CID 66545466
(2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol
CID 58964071
(3R)-4-azidobutane-1,3-diol
CID 130698557
(1R)-2-azido-1-cyclopentylethanol
CID 83093623
2-azidoethylcyclobutane
CID 130913828
1-amino-5-cyclopentylpentan-3-ol
CID 65184761
1-azidohexan-2-ol
CID 11171039
4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol
CID 57068108
1-cyclohexylhept-6-en-3-ol
CID 115804677
1-cyclohexyl-6-methylhept-6-en-3-ol
CID 115834468

Frequently Asked Questions

What is the IUPAC name of 1-azido-4-cyclohexylbutan-2-ol?
The IUPAC name of 1-azido-4-cyclohexylbutan-2-ol (CID 143558147) is 1-azido-4-cyclohexylbutan-2-ol.
What is the SMILES notation for 1-azido-4-cyclohexylbutan-2-ol?
The canonical SMILES for 1-azido-4-cyclohexylbutan-2-ol is [N-]=[N+]=NCC(O)CCC1CCCCC1.
What is the InChIKey of 1-azido-4-cyclohexylbutan-2-ol?
The InChIKey is RQASAXHFDDCNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-13-12-8-10(14)7-6-9-4-2-1-3-5-9/h9-10,14H,1-8H2.
What are the key properties of 1-azido-4-cyclohexylbutan-2-ol?
1-azido-4-cyclohexylbutan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-cyclohexylbutan-2-ol is sourced from PubChem (CID 143558147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).