3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine

C15H22N2 — CID 83859861

IUPAC3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine
SMILESCc1ccc(C)c2c1c(C)c(CCCN)n2C
InChIInChI=1S/C15H22N2/c1-10-7-8-11(2)15-14(10)12(3)13(17(15)4)6-5-9-16/h7-8H,5-6,9,16H2,1-4H3
InChIKeyVGTUZIGNNRUPPE-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.99
Rot. Bonds3

About 3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine

3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine (PubChem CID 83859861) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine
PubChem CID83859861
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine
SMILESCc1ccc(C)c2c1c(C)c(CCCN)n2C
InChIInChI=1S/C15H22N2/c1-10-7-8-11(2)15-14(10)12(3)13(17(15)4)6-5-9-16/h7-8H,5-6,9,16H2,1-4H3
InChIKeyVGTUZIGNNRUPPE-UHFFFAOYSA-N
XLogP2.99
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,5,8,9-pentamethylcarbazole
CID 617026
3-(4,7-dimethyl-3-propylindol-1-yl)propan-1-amine
CID 83948548
3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine
CID 84623642
N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine
CID 84626383
3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol
CID 83944932
N-methyl-1-(1,3,4,7-tetramethylindol-2-yl)ethanamine
CID 83859802
3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine
CID 82495903
3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine
CID 59138114
3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82393603
1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol
CID 83944930
1,2,3,7-tetramethylindol-4-amine
CID 118600284
3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
CID 84774719

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine?
The IUPAC name of 3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine (CID 83859861) is 3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine?
The canonical SMILES for 3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine is Cc1ccc(C)c2c1c(C)c(CCCN)n2C.
What is the InChIKey of 3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine?
The InChIKey is VGTUZIGNNRUPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10-7-8-11(2)15-14(10)12(3)13(17(15)4)6-5-9-16/h7-8H,5-6,9,16H2,1-4H3.
What are the key properties of 3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine?
3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine is sourced from PubChem (CID 83859861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).