N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine

C16H21N3 — CID 103276309

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine
SMILESCC1=CC(C)CC(CNc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C16H21N3/c1-11-5-12(2)7-13(6-11)9-17-15-3-4-16-14(8-15)10-18-19-16/h3-5,8,10-11,13,17H,6-7,9H2,1-2H3,(H,18,19)
InChIKeyZPKPGHUGNLAARK-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.97
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine (PubChem CID 103276309) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine
PubChem CID103276309
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine
SMILESCC1=CC(C)CC(CNc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C16H21N3/c1-11-5-12(2)7-13(6-11)9-17-15-3-4-16-14(8-15)10-18-19-16/h3-5,8,10-11,13,17H,6-7,9H2,1-2H3,(H,18,19)
InChIKeyZPKPGHUGNLAARK-UHFFFAOYSA-N
XLogP3.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-iodoaniline
CID 114259615
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-fluoro-4-methoxyaniline
CID 103276193
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine
CID 103276908
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 103275963
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 103276314
N-[4-[(1H-indazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939655
N-(3-methylsulfanylpropyl)-1H-indazol-5-amine
CID 43690828
ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 18447314
N-(piperidin-2-ylmethyl)-1H-indazol-5-amine
CID 106633290
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-nitroaniline
CID 103276362
N-(2,2,2-trifluoroethyl)-1H-indazol-5-amine
CID 102049744
N-(cyclohexylmethyl)-1H-indazol-6-amine
CID 5333513

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine (CID 103276309) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine is CC1=CC(C)CC(CNc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine?
The InChIKey is ZPKPGHUGNLAARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-5-12(2)7-13(6-11)9-17-15-3-4-16-14(8-15)10-18-19-16/h3-5,8,10-11,13,17H,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine has a molecular weight of 255.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 103276309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).