6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine

C16H24N4 — CID 107490375

IUPAC6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine
SMILESCC(C)C1CCCN(c2cc3[nH]ncc3cc2N)CC1
InChIInChI=1S/C16H24N4/c1-11(2)12-4-3-6-20(7-5-12)16-9-15-13(8-14(16)17)10-18-19-15/h8-12H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyWJSMVECLROLOSZ-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.41
Rot. Bonds2

About 6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine

6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine (PubChem CID 107490375) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine.

Molecular Properties

Compound Name6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine
PubChem CID107490375
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine
SMILESCC(C)C1CCCN(c2cc3[nH]ncc3cc2N)CC1
InChIInChI=1S/C16H24N4/c1-11(2)12-4-3-6-20(7-5-12)16-9-15-13(8-14(16)17)10-18-19-15/h8-12H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyWJSMVECLROLOSZ-UHFFFAOYSA-N
XLogP3.41
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1H-indazol-5-amine
CID 107490647
2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol
CID 107490774
6-(2-methylazepan-1-yl)-1H-indazol-5-amine
CID 107490347
4,5-dimethoxy-2-(4-propan-2-ylazepan-1-yl)aniline
CID 83004848
4-bromo-5-fluoro-2-(4-propan-2-ylazepan-1-yl)aniline
CID 116735995
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine
CID 107490120
6-(3-morpholin-4-ylpyrrolidin-1-yl)-1H-indazol-5-amine
CID 107490188
5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine
CID 83266554
2-[1-(5-amino-1H-indazol-6-yl)piperidin-2-yl]ethanol
CID 107488175
3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide
CID 82992166
6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine
CID 107490998
6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine
CID 107490807

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine?
The IUPAC name of 6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine (CID 107490375) is 6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine.
What is the SMILES notation for 6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine?
The canonical SMILES for 6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine is CC(C)C1CCCN(c2cc3[nH]ncc3cc2N)CC1.
What is the InChIKey of 6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine?
The InChIKey is WJSMVECLROLOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-11(2)12-4-3-6-20(7-5-12)16-9-15-13(8-14(16)17)10-18-19-15/h8-12H,3-7,17H2,1-2H3,(H,18,19).
What are the key properties of 6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine?
6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine has a molecular weight of 272.40 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine is sourced from PubChem (CID 107490375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).