2-(4-azidocyclohexyl)propan-2-ol;methane

C10H21N3O — CID 167575897

IUPAC2-(4-azidocyclohexyl)propan-2-ol;methane
SMILESC.CC(C)(O)C1CCC(N=[N+]=[N-])CC1
InChIInChI=1S/C9H17N3O.CH4/c1-9(2,13)7-3-5-8(6-4-7)11-12-10;/h7-8,13H,3-6H2,1-2H3;1H4
InChIKeyGNGJDUGOBYMPMO-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.26
Rot. Bonds2

About 2-(4-azidocyclohexyl)propan-2-ol;methane

2-(4-azidocyclohexyl)propan-2-ol;methane (PubChem CID 167575897) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(4-azidocyclohexyl)propan-2-ol;methane.

Molecular Properties

Compound Name2-(4-azidocyclohexyl)propan-2-ol;methane
PubChem CID167575897
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(4-azidocyclohexyl)propan-2-ol;methane
SMILESC.CC(C)(O)C1CCC(N=[N+]=[N-])CC1
InChIInChI=1S/C9H17N3O.CH4/c1-9(2,13)7-3-5-8(6-4-7)11-12-10;/h7-8,13H,3-6H2,1-2H3;1H4
InChIKeyGNGJDUGOBYMPMO-UHFFFAOYSA-N
XLogP3.26
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.26
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

trans-2-(4-Amino-cyclohexyl)-propan-2-ol
CID 53255491
(2R)-1-azido-2-cyclohexylpropan-2-ol
CID 131169123
2-(4-Azido-4-methylcyclohexyl)propan-2-ol
CID 129985491
1-Cyclohexyl-1-(propyldiazenyl)ethanol
CID 20356789
cis-2-(4-Aminocyclohexyl)propan-2-ol;hydrochloride
CID 68590814
[4-(2-Hydroxypropan-2-yl)cyclohexyl]azanium
CID 86324892
1-(4-Azidocyclohexyl)ethanol
CID 89393183
1-Azido-2-cyclohexylpropan-2-ol
CID 123621305
2-(4-Azidocyclohexyl)propan-2-ol
CID 151739020
2-(4-Aminocyclohexyl)propan-2-ol;ethane
CID 154682487
2-(4-Aminocyclohexyl)butan-2-ol
CID 155110993
(2S)-1-azido-2-cyclohexylpropan-2-ol
CID 15446679

Frequently Asked Questions

What is the IUPAC name of 2-(4-azidocyclohexyl)propan-2-ol;methane?
The IUPAC name of 2-(4-azidocyclohexyl)propan-2-ol;methane (CID 167575897) is 2-(4-azidocyclohexyl)propan-2-ol;methane.
What is the SMILES notation for 2-(4-azidocyclohexyl)propan-2-ol;methane?
The canonical SMILES for 2-(4-azidocyclohexyl)propan-2-ol;methane is C.CC(C)(O)C1CCC(N=[N+]=[N-])CC1.
What is the InChIKey of 2-(4-azidocyclohexyl)propan-2-ol;methane?
The InChIKey is GNGJDUGOBYMPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.CH4/c1-9(2,13)7-3-5-8(6-4-7)11-12-10;/h7-8,13H,3-6H2,1-2H3;1H4.
What are the key properties of 2-(4-azidocyclohexyl)propan-2-ol;methane?
2-(4-azidocyclohexyl)propan-2-ol;methane has a molecular weight of 199.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidocyclohexyl)propan-2-ol;methane is sourced from PubChem (CID 167575897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).