2-indazol-1-yl-N-methylcycloheptan-1-amine

C15H21N3 — CID 62142065

IUPAC2-indazol-1-yl-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1n1ncc2ccccc21
InChIInChI=1S/C15H21N3/c1-16-13-8-3-2-4-10-15(13)18-14-9-6-5-7-12(14)11-17-18/h5-7,9,11,13,15-16H,2-4,8,10H2,1H3
InChIKeyOPJCCTRTOVIBEP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.13
Rot. Bonds2

About 2-indazol-1-yl-N-methylcycloheptan-1-amine

2-indazol-1-yl-N-methylcycloheptan-1-amine (PubChem CID 62142065) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-indazol-1-yl-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-indazol-1-yl-N-methylcycloheptan-1-amine
PubChem CID62142065
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-indazol-1-yl-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1n1ncc2ccccc21
InChIInChI=1S/C15H21N3/c1-16-13-8-3-2-4-10-15(13)18-14-9-6-5-7-12(14)11-17-18/h5-7,9,11,13,15-16H,2-4,8,10H2,1H3
InChIKeyOPJCCTRTOVIBEP-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-indazol-1-ylcycloheptan-1-amine
CID 55040785
(2-indazol-1-ylcycloheptyl)methanamine
CID 62140360
1-[(2S)-oxan-2-yl]indazole
CID 124562379
4-ethyl-2-indazol-1-ylcyclohexan-1-amine
CID 62139994
2-indazol-1-yl-4-propylcyclohexan-1-amine
CID 55040739
2-indazol-1-yl-4-propylcyclohexan-1-ol
CID 55040790
N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970701
1-[(3R)-pyrrolidin-3-yl]indazole
CID 94401525
N-(2-indazol-1-ylpropyl)cyclohexanamine
CID 62566411
N-methylindazol-1-amine
CID 15129846
2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid
CID 63073741
1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole
CID 59541145

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-methylcycloheptan-1-amine?
The IUPAC name of 2-indazol-1-yl-N-methylcycloheptan-1-amine (CID 62142065) is 2-indazol-1-yl-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-indazol-1-yl-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-indazol-1-yl-N-methylcycloheptan-1-amine is CNC1CCCCCC1n1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-yl-N-methylcycloheptan-1-amine?
The InChIKey is OPJCCTRTOVIBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-16-13-8-3-2-4-10-15(13)18-14-9-6-5-7-12(14)11-17-18/h5-7,9,11,13,15-16H,2-4,8,10H2,1H3.
What are the key properties of 2-indazol-1-yl-N-methylcycloheptan-1-amine?
2-indazol-1-yl-N-methylcycloheptan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-methylcycloheptan-1-amine is sourced from PubChem (CID 62142065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).