N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine

C10H17N3 — CID 84718287

IUPACN-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine
SMILESCNCC1CCc2n[nH]c(C)c2C1
InChIInChI=1S/C10H17N3/c1-7-9-5-8(6-11-2)3-4-10(9)13-12-7/h8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeySSIGYCIDMOZHQG-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.04
Rot. Bonds2

About N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine

N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine (PubChem CID 84718287) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine
PubChem CID84718287
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine
SMILESCNCC1CCc2n[nH]c(C)c2C1
InChIInChI=1S/C10H17N3/c1-7-9-5-8(6-11-2)3-4-10(9)13-12-7/h8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeySSIGYCIDMOZHQG-UHFFFAOYSA-N
XLogP1.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 165463449
(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine
CID 82417265
N-methyl-1-(2-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanamine
CID 84718418
N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425903
3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine
CID 167805989
3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 70661479
1-[2-(cyclopentylsulfanylmethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 81426131
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine
CID 84717090
1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 81424302
N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 114878861
methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate
CID 129091507
methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate
CID 166292064

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine (CID 84718287) is N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine is CNCC1CCc2n[nH]c(C)c2C1.
What is the InChIKey of N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine?
The InChIKey is SSIGYCIDMOZHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-9-5-8(6-11-2)3-4-10(9)13-12-7/h8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine?
N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine has a molecular weight of 179.27 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine is sourced from PubChem (CID 84718287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).