(2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine

C11H16N2 — CID 70226336

IUPAC(2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine
SMILESCCC1=CC2=CC(CN)=CCC2N1
InChIInChI=1S/C11H16N2/c1-2-10-6-9-5-8(7-12)3-4-11(9)13-10/h3,5-6,11,13H,2,4,7,12H2,1H3
InChIKeyUCJCAQQFPVKMCS-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.47
Rot. Bonds2

About (2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine

(2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine (PubChem CID 70226336) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine
PubChem CID70226336
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine
SMILESCCC1=CC2=CC(CN)=CCC2N1
InChIInChI=1S/C11H16N2/c1-2-10-6-9-5-8(7-12)3-4-11(9)13-10/h3,5-6,11,13H,2,4,7,12H2,1H3
InChIKeyUCJCAQQFPVKMCS-UHFFFAOYSA-N
XLogP1.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydrocollidin
CID 430194
5,6-Dihydrotryptamine
CID 67559680
7,7a-Dihydroindole
CID 68201405
[(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine
CID 70913563
5-fluoro-2-methyl-2,4-dihydro-1H-indole
CID 89846202
(3E,5Z,7E)-6-fluoro-3-methyl-2-N-propan-2-yldeca-1,3,5,7-tetraene-2,5-diamine
CID 153577901
3-ethyl-2-[[[(5Z,7Z)-8-fluoro-6,7-dimethylocta-5,7-dien-3-yl]amino]methyl]-N-prop-1-en-2-ylcyclopenta-1,3-dien-1-amine
CID 169956088
(3E)-3-fluoro-6,10-dimethyl-7-methylidene-1,2,8,9,10,11-hexahydropyrido[4,3-b]azonine
CID 173839709
2,3,4,5-Tetrahydro-b-carboline
CID 129701648
5,7-Dimethyl-1h-pyrrolo[2,3-g]quinoline
CID 129782169
(3Z)-N-propan-2-yl-3-prop-2-enylidenecyclohexen-1-amine
CID 134948808
N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
CID 134966651

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine?
The IUPAC name of (2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine (CID 70226336) is (2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine.
What is the SMILES notation for (2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine?
The canonical SMILES for (2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine is CCC1=CC2=CC(CN)=CCC2N1.
What is the InChIKey of (2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine?
The InChIKey is UCJCAQQFPVKMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-10-6-9-5-8(7-12)3-4-11(9)13-10/h3,5-6,11,13H,2,4,7,12H2,1H3.
What are the key properties of (2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine?
(2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine has a molecular weight of 176.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-7,7a-dihydro-1H-indol-5-yl)methanamine is sourced from PubChem (CID 70226336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).