(5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine

C14H18N2 — CID 83835518

IUPAC(5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine
SMILESCCc1cccc2c3c([nH]c12)C(CN)CC3
InChIInChI=1S/C14H18N2/c1-2-9-4-3-5-11-12-7-6-10(8-15)14(12)16-13(9)11/h3-5,10,16H,2,6-8,15H2,1H3
InChIKeyHOANBKQYOUAIPJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.72
Rot. Bonds2

About (5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine

(5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine (PubChem CID 83835518) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine.

Molecular Properties

Compound Name(5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine
PubChem CID83835518
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine
SMILESCCc1cccc2c3c([nH]c12)C(CN)CC3
InChIInChI=1S/C14H18N2/c1-2-9-4-3-5-11-12-7-6-10(8-15)14(12)16-13(9)11/h3-5,10,16H,2,6-8,15H2,1H3
InChIKeyHOANBKQYOUAIPJ-UHFFFAOYSA-N
XLogP2.72
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 82492828
(8-methyl-6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanamine
CID 82508927
8-ethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 21239685
7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one
CID 84625460
2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde
CID 3764850
2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84635790
[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 26342575
2-(8-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)butanoate
CID 57375133
3-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10511740
2-[(10R,13S)-6-ethyl-8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6-tetraen-10-yl]acetic acid
CID 14302239
(8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine
CID 83841721
4-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62390706

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine?
The IUPAC name of (5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine (CID 83835518) is (5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine.
What is the SMILES notation for (5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine?
The canonical SMILES for (5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine is CCc1cccc2c3c([nH]c12)C(CN)CC3.
What is the InChIKey of (5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine?
The InChIKey is HOANBKQYOUAIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-9-4-3-5-11-12-7-6-10(8-15)14(12)16-13(9)11/h3-5,10,16H,2,6-8,15H2,1H3.
What are the key properties of (5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine?
(5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine has a molecular weight of 214.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine is sourced from PubChem (CID 83835518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).