1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine

C14H21N3 — CID 82289370

IUPAC1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
SMILESCc1[nH]c2ccccc2c1C(C(C)N)N(C)C
InChIInChI=1S/C14H21N3/c1-9(15)14(17(3)4)13-10(2)16-12-8-6-5-7-11(12)13/h5-9,14,16H,15H2,1-4H3
InChIKeyYARWWNGSHMVWDA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.43
Rot. Bonds3

About 1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine

1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine (PubChem CID 82289370) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
PubChem CID82289370
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
SMILESCc1[nH]c2ccccc2c1C(C(C)N)N(C)C
InChIInChI=1S/C14H21N3/c1-9(15)14(17(3)4)13-10(2)16-12-8-6-5-7-11(12)13/h5-9,14,16H,15H2,1-4H3
InChIKeyYARWWNGSHMVWDA-UHFFFAOYSA-N
XLogP2.43
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116914751
3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 116907669
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 95447779
2-amino-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116850760
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
2-methyl-3-(1-phenoxyethyl)-1H-indole
CID 67859918

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine (CID 82289370) is 1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine is Cc1[nH]c2ccccc2c1C(C(C)N)N(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine?
The InChIKey is YARWWNGSHMVWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-9(15)14(17(3)4)13-10(2)16-12-8-6-5-7-11(12)13/h5-9,14,16H,15H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine?
1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine is sourced from PubChem (CID 82289370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).