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

C16H25N3 — CID 107236430

IUPACN'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)Cc1c(C)c2ccccc2n1C
InChIInChI=1S/C16H25N3/c1-13-14-8-5-6-9-15(14)19(4)16(13)12-18(3)11-7-10-17-2/h5-6,8-9,17H,7,10-12H2,1-4H3
InChIKeyICQNWGNCUVIROQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.53
Rot. Bonds6

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

N'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 107236430) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID107236430
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)Cc1c(C)c2ccccc2n1C
InChIInChI=1S/C16H25N3/c1-13-14-8-5-6-9-15(14)19(4)16(13)12-18(3)11-7-10-17-2/h5-6,8-9,17H,7,10-12H2,1-4H3
InChIKeyICQNWGNCUVIROQ-UHFFFAOYSA-N
XLogP2.53
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one
CID 81237099
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
1-methyl-5-[[methyl-[3-(methylamino)propyl]amino]methyl]pyrazole-4-carboxylic acid
CID 116632250
N-[(1,3-dimethylindol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 107236223
3-[(1,3-dimethylindol-2-yl)methyl-ethylamino]-2-methylpropanoic acid
CID 107236504
2-(methoxymethyl)-1,3-dimethylindole
CID 101050705
2-[cyclopropylmethyl-[(1,3-dimethylindol-2-yl)methyl]amino]acetic acid
CID 107236494
3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine
CID 107236210
3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide
CID 106095875
5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide
CID 106233704
1,3-dimethyl-2-tridecylindole
CID 122371242
N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148

Frequently Asked Questions

What is the IUPAC name of N'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine (CID 107236430) is N'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine is CNCCCN(C)Cc1c(C)c2ccccc2n1C.
What is the InChIKey of N'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is ICQNWGNCUVIROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13-14-8-5-6-9-15(14)19(4)16(13)12-18(3)11-7-10-17-2/h5-6,8-9,17H,7,10-12H2,1-4H3.
What are the key properties of N'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine?
N'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 259.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 107236430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).