4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride

C15H18ClNO — CID 171208914

IUPAC4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride
SMILESC=CCC[C@@H](N)c1ccc(O)c2ccccc12.Cl
InChIInChI=1S/C15H17NO.ClH/c1-2-3-8-14(16)12-9-10-15(17)13-7-5-4-6-11(12)13;/h2,4-7,9-10,14,17H,1,3,8,16H2;1H/t14-;/m1./s1
InChIKeyXAHKNTDATWZUCL-PFEQFJNWSA-N
MW263.77 g/mol
LogP3.93
Rot. Bonds4

About 4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride

4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride (PubChem CID 171208914) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride
PubChem CID171208914
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride
SMILESC=CCC[C@@H](N)c1ccc(O)c2ccccc12.Cl
InChIInChI=1S/C15H17NO.ClH/c1-2-3-8-14(16)12-9-10-15(17)13-7-5-4-6-11(12)13;/h2,4-7,9-10,14,17H,1,3,8,16H2;1H/t14-;/m1./s1
InChIKeyXAHKNTDATWZUCL-PFEQFJNWSA-N
XLogP3.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride 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

4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride
CID 171208887
4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol
CID 171228462
(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
CID 171212052
4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride
CID 171228471
4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride
CID 171219663
4-(1-aminopropyl)naphthalen-1-ol
CID 82263143
4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol
CID 171219662
(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride
CID 171224605
(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860
2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol
CID 171217147
2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
CID 171198968
2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride
CID 171198936

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride (CID 171208914) is 4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride is C=CCC[C@@H](N)c1ccc(O)c2ccccc12.Cl.
What is the InChIKey of 4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride?
The InChIKey is XAHKNTDATWZUCL-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c1-2-3-8-14(16)12-9-10-15(17)13-7-5-4-6-11(12)13;/h2,4-7,9-10,14,17H,1,3,8,16H2;1H/t14-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride?
4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride is sourced from PubChem (CID 171208914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).