N-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine

C16H17N3 — CID 66751967

IUPACN-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine
SMILESCCC(Nc1ccc2ccccc2c1)c1cnc[nH]1
InChIInChI=1S/C16H17N3/c1-2-15(16-10-17-11-18-16)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-11,15,19H,2H2,1H3,(H,17,18)
InChIKeyBIUMKNYHXBSITI-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.13
Rot. Bonds4

About N-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine

N-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine (PubChem CID 66751967) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine
PubChem CID66751967
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine
SMILESCCC(Nc1ccc2ccccc2c1)c1cnc[nH]1
InChIInChI=1S/C16H17N3/c1-2-15(16-10-17-11-18-16)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-11,15,19H,2H2,1H3,(H,17,18)
InChIKeyBIUMKNYHXBSITI-UHFFFAOYSA-N
XLogP4.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-(1-phenylpropyl)pyridine-3,5-diamine
CID 104534194
N-[1-(4-fluorophenyl)propyl]quinolin-3-amine
CID 43691286
N-(1-phenylpropyl)quinolin-3-amine
CID 43691285
[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
CID 7015308
N-(2,6-dimethylheptan-4-yl)naphthalen-2-amine
CID 43680210
(1S)-1-(1H-imidazol-5-yl)propan-1-amine
CID 68653540
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 688489
3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol
CID 106287465
N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine
CID 43782693
(3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride
CID 71432857
bicyclo[3.1.0]hexa-1(6),2,4-triene;methyl 3-ethynyl-2-[1-(naphthalen-2-ylamino)propyl]benzoate
CID 87312936
(2S)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174375050

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine?
The IUPAC name of N-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine (CID 66751967) is N-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine.
What is the SMILES notation for N-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine?
The canonical SMILES for N-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine is CCC(Nc1ccc2ccccc2c1)c1cnc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine?
The InChIKey is BIUMKNYHXBSITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-15(16-10-17-11-18-16)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-11,15,19H,2H2,1H3,(H,17,18).
What are the key properties of N-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine?
N-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine has a molecular weight of 251.33 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-5-yl)propyl]naphthalen-2-amine is sourced from PubChem (CID 66751967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).