2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine

C18H29N3 — CID 107235585

IUPAC2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1c(C)c2ccccc2n1C
InChIInChI=1S/C18H29N3/c1-6-21(7-2)13-14(3)19-12-18-15(4)16-10-8-9-11-17(16)20(18)5/h8-11,14,19H,6-7,12-13H2,1-5H3
InChIKeyATWFIMMHWMRLKS-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.31
Rot. Bonds7

About 2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine

2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 107235585) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID107235585
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1c(C)c2ccccc2n1C
InChIInChI=1S/C18H29N3/c1-6-21(7-2)13-14(3)19-12-18-15(4)16-10-8-9-11-17(16)20(18)5/h8-11,14,19H,6-7,12-13H2,1-5H3
InChIKeyATWFIMMHWMRLKS-UHFFFAOYSA-N
XLogP3.31
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine 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-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine
CID 107235779
2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 107236349
2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
3-[(1,3-dimethylindol-2-yl)methyl-ethylamino]-2-methylpropanoic acid
CID 107236504
2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol
CID 107234805
3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol
CID 107236217
(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235986
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 107235503
N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107235513
4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine
CID 107236533
N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 107235763

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine (CID 107235585) is 2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)NCc1c(C)c2ccccc2n1C.
What is the InChIKey of 2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is ATWFIMMHWMRLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-6-21(7-2)13-14(3)19-12-18-15(4)16-10-8-9-11-17(16)20(18)5/h8-11,14,19H,6-7,12-13H2,1-5H3.
What are the key properties of 2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 287.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 107235585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).