6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine

C17H29N3 — CID 62993220

IUPAC6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2CCCN2CCCC2)C(N)C1
InChIInChI=1S/C17H29N3/c1-17(2)12-15(18)14-6-11-20(16(14)13-17)10-5-9-19-7-3-4-8-19/h6,11,15H,3-5,7-10,12-13,18H2,1-2H3
InChIKeyROBYWCCEIJTEHY-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.95
Rot. Bonds4

About 6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine

6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine (PubChem CID 62993220) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine
PubChem CID62993220
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2CCCN2CCCC2)C(N)C1
InChIInChI=1S/C17H29N3/c1-17(2)12-15(18)14-6-11-20(16(14)13-17)10-5-9-19-7-3-4-8-19/h6,11,15H,3-5,7-10,12-13,18H2,1-2H3
InChIKeyROBYWCCEIJTEHY-UHFFFAOYSA-N
XLogP2.95
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1H-indole-3-ethylamine
CID 23492
5-(3-benzylpyrrolidin-3-yl)-1-methyl-1H-indole
CID 44230733
N,N'-Dimethyltryptamine
CID 37796
1-phenyl-1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine
CID 2770910
3-(1H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine
CID 44593439
2-(5-tert-Butyl-1-methyl-1H-indol-3-yl)-ethylamine
CID 44292364
5-tert-Butyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole
CID 44292365
2-(6-Methyl-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 44299185
N-1-isopropyltryptamine
CID 5115445
2-(1-Benzyl-1H-indol-3-yl)-1-methyl-ethylamine hydrochloride
CID 23724407
1-(6-Methylindol-1-yl)propan-2-amine
CID 10583785
3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indole
CID 44405876

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine (CID 62993220) is 6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine is CC1(C)Cc2c(ccn2CCCN2CCCC2)C(N)C1.
What is the InChIKey of 6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine?
The InChIKey is ROBYWCCEIJTEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-17(2)12-15(18)14-6-11-20(16(14)13-17)10-5-9-19-7-3-4-8-19/h6,11,15H,3-5,7-10,12-13,18H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine?
6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine has a molecular weight of 275.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 62993220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).