2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine

C16H24N2 — CID 119110585

IUPAC2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCc1ccc2c(CCNCC(C)(C)C)c[nH]c2c1
InChIInChI=1S/C16H24N2/c1-12-5-6-14-13(10-18-15(14)9-12)7-8-17-11-16(2,3)4/h5-6,9-10,17-18H,7-8,11H2,1-4H3
InChIKeyCZMOXDHPSJYGHS-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.65
Rot. Bonds4

About 2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine

2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine (PubChem CID 119110585) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
PubChem CID119110585
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCc1ccc2c(CCNCC(C)(C)C)c[nH]c2c1
InChIInChI=1S/C16H24N2/c1-12-5-6-14-13(10-18-15(14)9-12)7-8-17-11-16(2,3)4/h5-6,9-10,17-18H,7-8,11H2,1-4H3
InChIKeyCZMOXDHPSJYGHS-UHFFFAOYSA-N
XLogP3.65
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dimethylpropyl)-6-methyl-1H-indole
CID 129190941
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 111505645
N-[2-(6-methyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82497315
2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 119114359
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111608451
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
1-tert-butyl-3-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110965711
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111973740
N-tert-butyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]acetamide
CID 111384373
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111127001

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine (CID 119110585) is 2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine is Cc1ccc2c(CCNCC(C)(C)C)c[nH]c2c1.
What is the InChIKey of 2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
The InChIKey is CZMOXDHPSJYGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-5-6-14-13(10-18-15(14)9-12)7-8-17-11-16(2,3)4/h5-6,9-10,17-18H,7-8,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 119110585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).