1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C15H23N3 — CID 82294925

IUPAC1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCc1c(C(C(C)N)N(C)C)c2ccccc2n1C
InChIInChI=1S/C15H23N3/c1-10(16)15(17(3)4)14-11(2)18(5)13-9-7-6-8-12(13)14/h6-10,15H,16H2,1-5H3
InChIKeyDDDVEAREYNFXNS-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.44
Rot. Bonds3

About 1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine

1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82294925) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82294925
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCc1c(C(C(C)N)N(C)C)c2ccccc2n1C
InChIInChI=1S/C15H23N3/c1-10(16)15(17(3)4)14-11(2)18(5)13-9-7-6-8-12(13)14/h6-10,15H,16H2,1-5H3
InChIKeyDDDVEAREYNFXNS-UHFFFAOYSA-N
XLogP2.44
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
cyclobutyl-(1,2-dimethylindol-3-yl)methanamine
CID 82288284
1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
CID 82289370
2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
CID 82285579
2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539162
(1-methyl-3-propan-2-ylindol-2-yl)methanamine
CID 83916240
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole
CID 2949451
ethane;1,2,3-trimethylindole
CID 91590745
2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid
CID 82475185
methyl 2-(1,2-dimethylindol-3-yl)-3,3,3-trifluoropropanoate
CID 75530069

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82294925) is 1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine is Cc1c(C(C(C)N)N(C)C)c2ccccc2n1C.
What is the InChIKey of 1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is DDDVEAREYNFXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-10(16)15(17(3)4)14-11(2)18(5)13-9-7-6-8-12(13)14/h6-10,15H,16H2,1-5H3.
What are the key properties of 1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82294925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).