N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C17H24N4 — CID 103399050

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)(C)n1cc(CNC2CCc3ccccc3C2)nn1
InChIInChI=1S/C17H24N4/c1-17(2,3)21-12-16(19-20-21)11-18-15-9-8-13-6-4-5-7-14(13)10-15/h4-7,12,15,18H,8-11H2,1-3H3
InChIKeyBOJNCTDDRCEWKW-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.68
Rot. Bonds3

About N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 103399050) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID103399050
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)(C)n1cc(CNC2CCc3ccccc3C2)nn1
InChIInChI=1S/C17H24N4/c1-17(2,3)21-12-16(19-20-21)11-18-15-9-8-13-6-4-5-7-14(13)10-15/h4-7,12,15,18H,8-11H2,1-3H3
InChIKeyBOJNCTDDRCEWKW-UHFFFAOYSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridazin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106895183
N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 103399147
N-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107042348
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60664575
N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 80707817
N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103398815
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 103398563
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 103398947
N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103398651
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 103527388
N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60695151
(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 124680879

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 103399050) is N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is CC(C)(C)n1cc(CNC2CCc3ccccc3C2)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BOJNCTDDRCEWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-17(2,3)21-12-16(19-20-21)11-18-15-9-8-13-6-4-5-7-14(13)10-15/h4-7,12,15,18H,8-11H2,1-3H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 284.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 103399050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).