1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine

C16H25N3 — CID 116908531

IUPAC1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine
SMILESCNC(C)(C)C(c1cn(C)c2ccccc12)N(C)C
InChIInChI=1S/C16H25N3/c1-16(2,17-3)15(18(4)5)13-11-19(6)14-10-8-7-9-12(13)14/h7-11,15,17H,1-6H3
InChIKeyJYAAXYYQUZSKDH-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.78
Rot. Bonds4

About 1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine

1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine (PubChem CID 116908531) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine
PubChem CID116908531
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine
SMILESCNC(C)(C)C(c1cn(C)c2ccccc12)N(C)C
InChIInChI=1S/C16H25N3/c1-16(2,17-3)15(18(4)5)13-11-19(6)14-10-8-7-9-12(13)14/h7-11,15,17H,1-6H3
InChIKeyJYAAXYYQUZSKDH-UHFFFAOYSA-N
XLogP2.78
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
CID 116915219
2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol
CID 116908811
2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine
CID 116907436
2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile
CID 116955721
1-methyl-3-propan-2-ylindole
CID 10942942
(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171241948
(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol
CID 171248669
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine
CID 83920000
(3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride
CID 171241945
N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
CID 116932472

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine (CID 116908531) is 1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine is CNC(C)(C)C(c1cn(C)c2ccccc12)N(C)C.
What is the InChIKey of 1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine?
The InChIKey is JYAAXYYQUZSKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-16(2,17-3)15(18(4)5)13-11-19(6)14-10-8-7-9-12(13)14/h7-11,15,17H,1-6H3.
What are the key properties of 1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine?
1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine has a molecular weight of 259.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine is sourced from PubChem (CID 116908531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).