7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C17H23N3 — CID 167796096

IUPAC7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc2c(c1)C(NCCc1cncn1C)CCC2
InChIInChI=1S/C17H23N3/c1-13-6-7-14-4-3-5-17(16(14)10-13)19-9-8-15-11-18-12-20(15)2/h6-7,10-12,17,19H,3-5,8-9H2,1-2H3
InChIKeyNFBLOLVJKZUFTH-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.94
Rot. Bonds4

About 7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 167796096) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID167796096
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc2c(c1)C(NCCc1cncn1C)CCC2
InChIInChI=1S/C17H23N3/c1-13-6-7-14-4-3-5-17(16(14)10-13)19-9-8-15-11-18-12-20(15)2/h6-7,10-12,17,19H,3-5,8-9H2,1-2H3
InChIKeyNFBLOLVJKZUFTH-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 167796096) is 7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccc2c(c1)C(NCCc1cncn1C)CCC2.
What is the InChIKey of 7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NFBLOLVJKZUFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-6-7-14-4-3-5-17(16(14)10-13)19-9-8-15-11-18-12-20(15)2/h6-7,10-12,17,19H,3-5,8-9H2,1-2H3.
What are the key properties of 7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 167796096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).