3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine

C13H20N2 — CID 83860377

IUPAC3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
SMILESCc1ccc(C)c2c1NCC2CCCN
InChIInChI=1S/C13H20N2/c1-9-5-6-10(2)13-12(9)11(8-15-13)4-3-7-14/h5-6,11,15H,3-4,7-8,14H2,1-2H3
InChIKeyJCAKWHYEMHMVQH-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.55
Rot. Bonds3

About 3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine

3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine (PubChem CID 83860377) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
PubChem CID83860377
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
SMILESCc1ccc(C)c2c1NCC2CCCN
InChIInChI=1S/C13H20N2/c1-9-5-6-10(2)13-12(9)11(8-15-13)4-3-7-14/h5-6,11,15H,3-4,7-8,14H2,1-2H3
InChIKeyJCAKWHYEMHMVQH-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine (CID 83860377) is 3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine is Cc1ccc(C)c2c1NCC2CCCN.
What is the InChIKey of 3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
The InChIKey is JCAKWHYEMHMVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-5-6-10(2)13-12(9)11(8-15-13)4-3-7-14/h5-6,11,15H,3-4,7-8,14H2,1-2H3.
What are the key properties of 3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83860377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).