2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine

C16H24N2 — CID 119114359

IUPAC2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCc1cccc2[nH]cc(CCNCC(C)(C)C)c12
InChIInChI=1S/C16H24N2/c1-12-6-5-7-14-15(12)13(10-18-14)8-9-17-11-16(2,3)4/h5-7,10,17-18H,8-9,11H2,1-4H3
InChIKeyBSOISIXEVUFVGG-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.65
Rot. Bonds4

About 2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine

2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine (PubChem CID 119114359) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
PubChem CID119114359
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCc1cccc2[nH]cc(CCNCC(C)(C)C)c12
InChIInChI=1S/C16H24N2/c1-12-6-5-7-14-15(12)13(10-18-14)8-9-17-11-16(2,3)4/h5-7,10,17-18H,8-9,11H2,1-4H3
InChIKeyBSOISIXEVUFVGG-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

N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine
CID 119114393
2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol
CID 117194759
2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 119110585
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111607766
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
CID 119774506
2-(cyclopropylmethylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774526
4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133329325
1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111100810
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine (CID 119114359) is 2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine is Cc1cccc2[nH]cc(CCNCC(C)(C)C)c12.
What is the InChIKey of 2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
The InChIKey is BSOISIXEVUFVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-6-5-7-14-15(12)13(10-18-14)8-9-17-11-16(2,3)4/h5-7,10,17-18H,8-9,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
2,2-dimethyl-N-[2-(4-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-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 119114359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).