N-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine

C21H31N3 — CID 91320059

IUPACN-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine
SMILESCC(CNCc1ccccc1)C1CCCc2c1cnn2C(C)(C)C
InChIInChI=1S/C21H31N3/c1-16(13-22-14-17-9-6-5-7-10-17)18-11-8-12-20-19(18)15-23-24(20)21(2,3)4/h5-7,9-10,15-16,18,22H,8,11-14H2,1-4H3
InChIKeyPRJHYGIMMIWNIR-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.48
Rot. Bonds5

About N-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine

N-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine (PubChem CID 91320059) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine
PubChem CID91320059
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC NameN-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine
SMILESCC(CNCc1ccccc1)C1CCCc2c1cnn2C(C)(C)C
InChIInChI=1S/C21H31N3/c1-16(13-22-14-17-9-6-5-7-10-17)18-11-8-12-20-19(18)15-23-24(20)21(2,3)4/h5-7,9-10,15-16,18,22H,8,11-14H2,1-4H3
InChIKeyPRJHYGIMMIWNIR-UHFFFAOYSA-N
XLogP4.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide
CID 95762906
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine
CID 18804080
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 95384960
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[cyclohexyl(methyl)amino]acetamide
CID 94380801
(2S,3R)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94137013
1,6-ditert-butyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole
CID 118696714
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
(3R)-2,2-dimethyl-4-[[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]-3-phenylbutan-1-ol
CID 97107041
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 124742117
1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
CID 129104721

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine?
The IUPAC name of N-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine (CID 91320059) is N-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine.
What is the SMILES notation for N-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine?
The canonical SMILES for N-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine is CC(CNCc1ccccc1)C1CCCc2c1cnn2C(C)(C)C.
What is the InChIKey of N-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine?
The InChIKey is PRJHYGIMMIWNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-16(13-22-14-17-9-6-5-7-10-17)18-11-8-12-20-19(18)15-23-24(20)21(2,3)4/h5-7,9-10,15-16,18,22H,8,11-14H2,1-4H3.
What are the key properties of N-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine?
N-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine has a molecular weight of 325.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine is sourced from PubChem (CID 91320059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).