N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H25N3 — CID 64801618

IUPACN-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)n1ccc(CNC2CCCc3ccccc32)n1
InChIInChI=1S/C18H25N3/c1-3-14(2)21-12-11-16(20-21)13-19-18-10-6-8-15-7-4-5-9-17(15)18/h4-5,7,9,11-12,14,18-19H,3,6,8,10,13H2,1-2H3
InChIKeyVOEHAJXFGJTVEY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.02
Rot. Bonds5

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

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64801618) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64801618
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)n1ccc(CNC2CCCc3ccccc32)n1
InChIInChI=1S/C18H25N3/c1-3-14(2)21-12-11-16(20-21)13-19-18-10-6-8-15-7-4-5-9-17(15)18/h4-5,7,9,11-12,14,18-19H,3,6,8,10,13H2,1-2H3
InChIKeyVOEHAJXFGJTVEY-UHFFFAOYSA-N
XLogP4.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107851970
N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80708052
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 64778428
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43183561
N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 61009603
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102904359
3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 66091347
N-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43220614
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64801618) is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CCC(C)n1ccc(CNC2CCCc3ccccc32)n1.
What is the InChIKey of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VOEHAJXFGJTVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-14(2)21-12-11-16(20-21)13-19-18-10-6-8-15-7-4-5-9-17(15)18/h4-5,7,9,11-12,14,18-19H,3,6,8,10,13H2,1-2H3.
What are the key properties of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64801618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).