6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine

C25H33N3 — CID 70057917

IUPAC6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine
SMILESCCN(CCCCCc1c[nH]c2ccccc12)C1CCc2c(N)cccc2C1
InChIInChI=1S/C25H33N3/c1-2-28(21-14-15-22-19(17-21)10-8-12-24(22)26)16-7-3-4-9-20-18-27-25-13-6-5-11-23(20)25/h5-6,8,10-13,18,21,27H,2-4,7,9,14-17,26H2,1H3
InChIKeyLDPTWWRAFZRACY-UHFFFAOYSA-N
MW375.56 g/mol
LogP5.34
Rot. Bonds8

About 6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine

6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine (PubChem CID 70057917) has the molecular formula C25H33N3 and a molecular weight of 375.56 g/mol. Its IUPAC name is 6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine
PubChem CID70057917
Molecular FormulaC25H33N3
Molecular Weight375.56 g/mol
Exact Mass375.27
IUPAC Name6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine
SMILESCCN(CCCCCc1c[nH]c2ccccc12)C1CCc2c(N)cccc2C1
InChIInChI=1S/C25H33N3/c1-2-28(21-14-15-22-19(17-21)10-8-12-24(22)26)16-7-3-4-9-20-18-27-25-13-6-5-11-23(20)25/h5-6,8,10-13,18,21,27H,2-4,7,9,14-17,26H2,1H3
InChIKeyLDPTWWRAFZRACY-UHFFFAOYSA-N
XLogP5.34
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-N-ethyl-6-N-(4-pyridin-4-ylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 70057139
6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
CID 19773414
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-heptyl-1H-indole
CID 15360907
6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
CID 12581200
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110996781
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836469
6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 19895755
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
CID 13342884
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The IUPAC name of 6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine (CID 70057917) is 6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine.
What is the SMILES notation for 6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The canonical SMILES for 6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine is CCN(CCCCCc1c[nH]c2ccccc12)C1CCc2c(N)cccc2C1.
What is the InChIKey of 6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The InChIKey is LDPTWWRAFZRACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3/c1-2-28(21-14-15-22-19(17-21)10-8-12-24(22)26)16-7-3-4-9-20-18-27-25-13-6-5-11-23(20)25/h5-6,8,10-13,18,21,27H,2-4,7,9,14-17,26H2,1H3.
What are the key properties of 6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine has a molecular weight of 375.56 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-6-N-[5-(1H-indol-3-yl)pentyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine is sourced from PubChem (CID 70057917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).