(6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine

C10H17N3 — CID 112714625

IUPAC(6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine
SMILESCC1(C)CCc2cn[nH]c2C1CN
InChIInChI=1S/C10H17N3/c1-10(2)4-3-7-6-12-13-9(7)8(10)5-11/h6,8H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyMLNXNSQNJYQFGG-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.42
Rot. Bonds1

About (6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine

(6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine (PubChem CID 112714625) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine.

Molecular Properties

Compound Name(6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine
PubChem CID112714625
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine
SMILESCC1(C)CCc2cn[nH]c2C1CN
InChIInChI=1S/C10H17N3/c1-10(2)4-3-7-6-12-13-9(7)8(10)5-11/h6,8H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyMLNXNSQNJYQFGG-UHFFFAOYSA-N
XLogP1.42
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid
CID 112715931
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl)ethanamine
CID 83872534
6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 134714770
5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole
CID 123984516
(7S)-7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine
CID 125451348
(1,3,5,5-tetramethyl-6,7-dihydro-4H-indazol-4-yl)methanamine
CID 112716147
(1-methylspiro[5,7-dihydro-4H-indazole-6,1'-cyclopropane]-7-yl)methanamine
CID 112714996
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl)acetic acid
CID 82414310
(2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine
CID 112716095
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride
CID 131664469
(3aS,4R,5S,7aS)-5-[(5R,6S)-6-(aminomethyl)-5-methyl-1,4,6,7-tetrahydroindazol-5-yl]-N,7a-dimethyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-amine
CID 175097357
5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane
CID 144881790

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine?
The IUPAC name of (6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine (CID 112714625) is (6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine.
What is the SMILES notation for (6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine?
The canonical SMILES for (6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine is CC1(C)CCc2cn[nH]c2C1CN.
What is the InChIKey of (6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine?
The InChIKey is MLNXNSQNJYQFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2)4-3-7-6-12-13-9(7)8(10)5-11/h6,8H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of (6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine?
(6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine has a molecular weight of 179.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine is sourced from PubChem (CID 112714625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).