N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine

C16H17N3 — CID 62742307

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine
SMILESCc1[nH]cnc1CNCc1cccc2ccccc12
InChIInChI=1S/C16H17N3/c1-12-16(19-11-18-12)10-17-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,11,17H,9-10H2,1H3,(H,18,19)
InChIKeyDMVYQCONXRJOOD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.16
Rot. Bonds4

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine

N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine (PubChem CID 62742307) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine
PubChem CID62742307
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine
SMILESCc1[nH]cnc1CNCc1cccc2ccccc12
InChIInChI=1S/C16H17N3/c1-12-16(19-11-18-12)10-17-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,11,17H,9-10H2,1H3,(H,18,19)
InChIKeyDMVYQCONXRJOOD-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine (CID 62742307) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine is Cc1[nH]cnc1CNCc1cccc2ccccc12.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine?
The InChIKey is DMVYQCONXRJOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-16(19-11-18-12)10-17-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,11,17H,9-10H2,1H3,(H,18,19).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 62742307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).