4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol

C13H16N2O — CID 171228462

IUPAC4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol
SMILESNCC[C@H](N)c1ccc(O)c2ccccc12
InChIInChI=1S/C13H16N2O/c14-8-7-12(15)10-5-6-13(16)11-4-2-1-3-9(10)11/h1-6,12,16H,7-8,14-15H2/t12-/m0/s1
InChIKeyANOMNYVXOFIXCN-LBPRGKRZSA-N
MW216.28 g/mol
LogP1.89
Rot. Bonds3

About 4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol

4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol (PubChem CID 171228462) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol
PubChem CID171228462
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol
SMILESNCC[C@H](N)c1ccc(O)c2ccccc12
InChIInChI=1S/C13H16N2O/c14-8-7-12(15)10-5-6-13(16)11-4-2-1-3-9(10)11/h1-6,12,16H,7-8,14-15H2/t12-/m0/s1
InChIKeyANOMNYVXOFIXCN-LBPRGKRZSA-N
XLogP1.89
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride
CID 171228471
4-(1-aminopropyl)naphthalen-1-ol
CID 82263143
4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride
CID 171208914
2-[(1S)-1,3-diaminopropyl]phenol
CID 130872287
4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride
CID 171208887
(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine
CID 171208933
4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol
CID 171208917
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol
CID 171263774
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol
CID 171269425
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171228539
2-(1,6-diaminohexyl)phenol
CID 19366084

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol?
The IUPAC name of 4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol (CID 171228462) is 4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol?
The canonical SMILES for 4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol is NCC[C@H](N)c1ccc(O)c2ccccc12.
What is the InChIKey of 4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol?
The InChIKey is ANOMNYVXOFIXCN-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N2O/c14-8-7-12(15)10-5-6-13(16)11-4-2-1-3-9(10)11/h1-6,12,16H,7-8,14-15H2/t12-/m0/s1.
What are the key properties of 4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol?
4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol has a molecular weight of 216.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol is sourced from PubChem (CID 171228462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).