N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine

C15H27N3 — CID 63049206

IUPACN,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCC(C)(C)Nc1n[nH]c2c1CC(C(C)(C)C)CC2
InChIInChI=1S/C15H27N3/c1-14(2,3)10-7-8-12-11(9-10)13(18-17-12)16-15(4,5)6/h10H,7-9H2,1-6H3,(H2,16,17,18)
InChIKeyVZXKVJNOKJONEO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.77
Rot. Bonds1

About N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine

N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 63049206) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound NameN,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID63049206
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCC(C)(C)Nc1n[nH]c2c1CC(C(C)(C)C)CC2
InChIInChI=1S/C15H27N3/c1-14(2,3)10-7-8-12-11(9-10)13(18-17-12)16-15(4,5)6/h10H,7-9H2,1-6H3,(H2,16,17,18)
InChIKeyVZXKVJNOKJONEO-UHFFFAOYSA-N
XLogP3.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 114697882
N-tert-butyl-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazol-3-amine
CID 63531625
(5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 95990047
(6S)-6-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 170413494
N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 63049736
5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 165463449
(5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 95004178
(5R)-5-tert-butyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 92613857
6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane
CID 163248837
(5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 51597580
N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine
CID 63047612
(8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione
CID 51802115

Frequently Asked Questions

What is the IUPAC name of N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 63049206) is N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine is CC(C)(C)Nc1n[nH]c2c1CC(C(C)(C)C)CC2.
What is the InChIKey of N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is VZXKVJNOKJONEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-14(2,3)10-7-8-12-11(9-10)13(18-17-12)16-15(4,5)6/h10H,7-9H2,1-6H3,(H2,16,17,18).
What are the key properties of N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 63049206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).