1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol

C16H27N3O — CID 65122988

IUPAC1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol
SMILESCn1ncc2c1CCCC2NCC1(O)CCCCCC1
InChIInChI=1S/C16H27N3O/c1-19-15-8-6-7-14(13(15)11-18-19)17-12-16(20)9-4-2-3-5-10-16/h11,14,17,20H,2-10,12H2,1H3
InChIKeyAJDDDBRXDSHTLP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.47
Rot. Bonds3

About 1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol

1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 65122988) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol
PubChem CID65122988
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol
SMILESCn1ncc2c1CCCC2NCC1(O)CCCCCC1
InChIInChI=1S/C16H27N3O/c1-19-15-8-6-7-14(13(15)11-18-19)17-12-16(20)9-4-2-3-5-10-16/h11,14,17,20H,2-10,12H2,1H3
InChIKeyAJDDDBRXDSHTLP-UHFFFAOYSA-N
XLogP2.47
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol (CID 65122988) is 1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol is Cn1ncc2c1CCCC2NCC1(O)CCCCCC1.
What is the InChIKey of 1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is AJDDDBRXDSHTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-19-15-8-6-7-14(13(15)11-18-19)17-12-16(20)9-4-2-3-5-10-16/h11,14,17,20H,2-10,12H2,1H3.
What are the key properties of 1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol?
1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65122988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).