4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine

C16H22N4 — CID 61003419

IUPAC4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine
SMILESCn1cnnc1CNC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H22N4/c1-16(2)9-8-14(12-6-4-5-7-13(12)16)17-10-15-19-18-11-20(15)3/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyLFWOFJXECIFKSX-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.72
Rot. Bonds3

About 4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine

4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 61003419) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID61003419
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine
SMILESCn1cnnc1CNC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H22N4/c1-16(2)9-8-14(12-6-4-5-7-13(12)16)17-10-15-19-18-11-20(15)3/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyLFWOFJXECIFKSX-UHFFFAOYSA-N
XLogP2.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine (CID 61003419) is 4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine is Cn1cnnc1CNC1CCC(C)(C)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is LFWOFJXECIFKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-16(2)9-8-14(12-6-4-5-7-13(12)16)17-10-15-19-18-11-20(15)3/h4-7,11,14,17H,8-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine?
4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 270.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 61003419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).