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

C17H23N3 — CID 115491538

IUPAC2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
SMILESCn1ccc(CNC2c3ccccc3CCC2(C)C)n1
InChIInChI=1S/C17H23N3/c1-17(2)10-8-13-6-4-5-7-15(13)16(17)18-12-14-9-11-20(3)19-14/h4-7,9,11,16,18H,8,10,12H2,1-3H3
InChIKeyWZAYBGUWIDHOIN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.22
Rot. Bonds3

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

2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 115491538) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID115491538
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
SMILESCn1ccc(CNC2c3ccccc3CCC2(C)C)n1
InChIInChI=1S/C17H23N3/c1-17(2)10-8-13-6-4-5-7-15(13)16(17)18-12-14-9-11-20(3)19-14/h4-7,9,11,16,18H,8,10,12H2,1-3H3
InChIKeyWZAYBGUWIDHOIN-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine
CID 115531969
2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115532188
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 86789369
2,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115532038
2,2-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115532070
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531971
2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115532049
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531836
1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78960744
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine (CID 115491538) is 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine is Cn1ccc(CNC2c3ccccc3CCC2(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is WZAYBGUWIDHOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2)10-8-13-6-4-5-7-15(13)16(17)18-12-14-9-11-20(3)19-14/h4-7,9,11,16,18H,8,10,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine?
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115491538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).