3-[(1S)-1,5-diaminopentyl]phenol

C11H18N2O — CID 171218046

IUPAC3-[(1S)-1,5-diaminopentyl]phenol
SMILESNCCCC[C@H](N)c1cccc(O)c1
InChIInChI=1S/C11H18N2O/c12-7-2-1-6-11(13)9-4-3-5-10(14)8-9/h3-5,8,11,14H,1-2,6-7,12-13H2/t11-/m0/s1
InChIKeyYPWCVRBBGTXRBU-NSHDSACASA-N
MW194.28 g/mol
LogP1.52
Rot. Bonds5

About 3-[(1S)-1,5-diaminopentyl]phenol

3-[(1S)-1,5-diaminopentyl]phenol (PubChem CID 171218046) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[(1S)-1,5-diaminopentyl]phenol.

Molecular Properties

Compound Name3-[(1S)-1,5-diaminopentyl]phenol
PubChem CID171218046
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[(1S)-1,5-diaminopentyl]phenol
SMILESNCCCC[C@H](N)c1cccc(O)c1
InChIInChI=1S/C11H18N2O/c12-7-2-1-6-11(13)9-4-3-5-10(14)8-9/h3-5,8,11,14H,1-2,6-7,12-13H2/t11-/m0/s1
InChIKeyYPWCVRBBGTXRBU-NSHDSACASA-N
XLogP1.52
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(1S)-1,5-diaminopentyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1S)-1,5-diaminopentyl]benzene-1,3-diol
CID 171219413
5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride
CID 171199887
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
3-[(1S)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171218072
(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride
CID 171210552
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
3-(1-aminoheptan-4-yl)phenol
CID 83930253
(1S)-1-(3-propan-2-ylphenyl)butane-1,4-diamine
CID 171231579
(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
3-[(1R)-1-amino-3-methylbutyl]phenol
CID 130824054

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1,5-diaminopentyl]phenol?
The IUPAC name of 3-[(1S)-1,5-diaminopentyl]phenol (CID 171218046) is 3-[(1S)-1,5-diaminopentyl]phenol.
What is the SMILES notation for 3-[(1S)-1,5-diaminopentyl]phenol?
The canonical SMILES for 3-[(1S)-1,5-diaminopentyl]phenol is NCCCC[C@H](N)c1cccc(O)c1.
What is the InChIKey of 3-[(1S)-1,5-diaminopentyl]phenol?
The InChIKey is YPWCVRBBGTXRBU-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2O/c12-7-2-1-6-11(13)9-4-3-5-10(14)8-9/h3-5,8,11,14H,1-2,6-7,12-13H2/t11-/m0/s1.
What are the key properties of 3-[(1S)-1,5-diaminopentyl]phenol?
3-[(1S)-1,5-diaminopentyl]phenol has a molecular weight of 194.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1,5-diaminopentyl]phenol is sourced from PubChem (CID 171218046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).