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

C17H22N2 — CID 103276099

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine
SMILESCC1=CC(C)CC(CNc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C17H22N2/c1-12-7-13(2)9-14(8-12)11-19-16-3-4-17-15(10-16)5-6-18-17/h3-7,10,12,14,18-19H,8-9,11H2,1-2H3
InChIKeyOEHBMIDIKZFVRM-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.57
Rot. Bonds3

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

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine (PubChem CID 103276099) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine
PubChem CID103276099
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine
SMILESCC1=CC(C)CC(CNc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C17H22N2/c1-12-7-13(2)9-14(8-12)11-19-16-3-4-17-15(10-16)5-6-18-17/h3-7,10,12,14,18-19H,8-9,11H2,1-2H3
InChIKeyOEHBMIDIKZFVRM-UHFFFAOYSA-N
XLogP4.57
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine
CID 103276309
4-bromo-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-iodoaniline
CID 114259615
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 103276646
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-fluoro-4-methoxyaniline
CID 103276193
4-(difluoromethoxy)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]aniline
CID 103276060
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 103275963
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-nitroaniline
CID 103276362
N-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]methanesulfonamide
CID 103276401
N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine
CID 82834234
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline
CID 103276432
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine
CID 103276908
2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide
CID 103276395

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine (CID 103276099) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine is CC1=CC(C)CC(CNc2ccc3[nH]ccc3c2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine?
The InChIKey is OEHBMIDIKZFVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-7-13(2)9-14(8-12)11-19-16-3-4-17-15(10-16)5-6-18-17/h3-7,10,12,14,18-19H,8-9,11H2,1-2H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine has a molecular weight of 254.38 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine is sourced from PubChem (CID 103276099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).