(1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine

C18H25N3 — CID 82593416

IUPAC(1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c1CCCC2CN
InChIInChI=1S/C18H25N3/c1-18(2,3)21-15-11-7-10-14(12-19)16(15)17(20-21)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12,19H2,1-3H3
InChIKeyUWNXDGCBSCTJLX-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.68
Rot. Bonds2

About (1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine

(1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine (PubChem CID 82593416) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is (1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
PubChem CID82593416
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name(1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c1CCCC2CN
InChIInChI=1S/C18H25N3/c1-18(2,3)21-15-11-7-10-14(12-19)16(15)17(20-21)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12,19H2,1-3H3
InChIKeyUWNXDGCBSCTJLX-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine
CID 82593412
1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592475
3-(4-amino-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)propanenitrile
CID 82592446
(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
CID 82593140
2-[3-(4-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 82592040
1-tert-butyl-3-phenylindazole
CID 59633775
(1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine
CID 83434428
(8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
CID 84740960
ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 82593396
(4-methyl-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine
CID 83870489
1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine
CID 66489197
1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592488

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine?
The IUPAC name of (1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine (CID 82593416) is (1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine.
What is the SMILES notation for (1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine?
The canonical SMILES for (1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine is CC(C)(C)n1nc(-c2ccccc2)c2c1CCCC2CN.
What is the InChIKey of (1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine?
The InChIKey is UWNXDGCBSCTJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2,3)21-15-11-7-10-14(12-19)16(15)17(20-21)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12,19H2,1-3H3.
What are the key properties of (1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine?
(1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine has a molecular weight of 283.42 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine is sourced from PubChem (CID 82593416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).