4-(benzylamino)-5-diazenylcyclooctan-1-ol

C15H23N3O — CID 139374593

IUPAC4-(benzylamino)-5-diazenylcyclooctan-1-ol
SMILES[H]/N=N/C1CCCC(O)CCC1NCc1ccccc1
InChIInChI=1S/C15H23N3O/c16-18-15-8-4-7-13(19)9-10-14(15)17-11-12-5-2-1-3-6-12/h1-3,5-6,13-17,19H,4,7-11H2/b18-16+
InChIKeyYDKGZTUYUXQKQT-FBMGVBCBSA-N
MW261.37 g/mol
LogP2.87
Rot. Bonds4

About 4-(benzylamino)-5-diazenylcyclooctan-1-ol

4-(benzylamino)-5-diazenylcyclooctan-1-ol (PubChem CID 139374593) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(benzylamino)-5-diazenylcyclooctan-1-ol.

Molecular Properties

Compound Name4-(benzylamino)-5-diazenylcyclooctan-1-ol
PubChem CID139374593
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(benzylamino)-5-diazenylcyclooctan-1-ol
SMILES[H]/N=N/C1CCCC(O)CCC1NCc1ccccc1
InChIInChI=1S/C15H23N3O/c16-18-15-8-4-7-13(19)9-10-14(15)17-11-12-5-2-1-3-6-12/h1-3,5-6,13-17,19H,4,7-11H2/b18-16+
InChIKeyYDKGZTUYUXQKQT-FBMGVBCBSA-N
XLogP2.87
TPSA68.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(benzylamino)cyclopentane-1,3-diol
CID 57123230
(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol
CID 163753125
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
[1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol
CID 85281487
(3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride
CID 67928795
3-aminocyclohexane-1,2-diol;3-(benzylamino)cyclohexane-1,2-diol;methane
CID 159287111
N-benzyl-2-chlorocyclohexan-1-amine
CID 65025438
(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine
CID 155210583
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol
CID 78150855
(1R,2R,3R,4R,6R)-4-(benzylamino)-6-methylcyclohexane-1,2,3-triol
CID 101200286

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-5-diazenylcyclooctan-1-ol?
The IUPAC name of 4-(benzylamino)-5-diazenylcyclooctan-1-ol (CID 139374593) is 4-(benzylamino)-5-diazenylcyclooctan-1-ol.
What is the SMILES notation for 4-(benzylamino)-5-diazenylcyclooctan-1-ol?
The canonical SMILES for 4-(benzylamino)-5-diazenylcyclooctan-1-ol is [H]/N=N/C1CCCC(O)CCC1NCc1ccccc1.
What is the InChIKey of 4-(benzylamino)-5-diazenylcyclooctan-1-ol?
The InChIKey is YDKGZTUYUXQKQT-FBMGVBCBSA-N. The full InChI is InChI=1S/C15H23N3O/c16-18-15-8-4-7-13(19)9-10-14(15)17-11-12-5-2-1-3-6-12/h1-3,5-6,13-17,19H,4,7-11H2/b18-16+.
What are the key properties of 4-(benzylamino)-5-diazenylcyclooctan-1-ol?
4-(benzylamino)-5-diazenylcyclooctan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-5-diazenylcyclooctan-1-ol is sourced from PubChem (CID 139374593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).