4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine

C18H21N3 — CID 61071099

IUPAC4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
SMILESc1ccc2cc(CNCCCCn3ccnc3)ccc2c1
InChIInChI=1S/C18H21N3/c1-2-6-18-13-16(7-8-17(18)5-1)14-19-9-3-4-11-21-12-10-20-15-21/h1-2,5-8,10,12-13,15,19H,3-4,9,11,14H2
InChIKeyNRYXNXKJUOLWOL-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.61
Rot. Bonds7

About 4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine

4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine (PubChem CID 61071099) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
PubChem CID61071099
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
SMILESc1ccc2cc(CNCCCCn3ccnc3)ccc2c1
InChIInChI=1S/C18H21N3/c1-2-6-18-13-16(7-8-17(18)5-1)14-19-9-3-4-11-21-12-10-20-15-21/h1-2,5-8,10,12-13,15,19H,3-4,9,11,14H2
InChIKeyNRYXNXKJUOLWOL-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61069624
3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 60657424
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
N-[(3-fluorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61070174
4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 61069052
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 79979594
4-imidazol-1-yl-N-(isoquinolin-4-ylmethyl)butan-1-amine
CID 115748322
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
2-fluoro-5-[(4-imidazol-1-ylbutylamino)methyl]benzonitrile
CID 107880172
3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17155515
N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 62122292

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine?
The IUPAC name of 4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine (CID 61071099) is 4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine is c1ccc2cc(CNCCCCn3ccnc3)ccc2c1.
What is the InChIKey of 4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine?
The InChIKey is NRYXNXKJUOLWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-6-18-13-16(7-8-17(18)5-1)14-19-9-3-4-11-21-12-10-20-15-21/h1-2,5-8,10,12-13,15,19H,3-4,9,11,14H2.
What are the key properties of 4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine?
4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 61071099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).