N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine

C16H25N3 — CID 82089991

IUPACN',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H25N3/c1-3-19(4-2)12-11-17-10-9-14-13-18-16-8-6-5-7-15(14)16/h5-8,13,17-18H,3-4,9-12H2,1-2H3
InChIKeyGRYGCNBKKNUJBK-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.64
Rot. Bonds8

About N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine

N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine (PubChem CID 82089991) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
PubChem CID82089991
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H25N3/c1-3-19(4-2)12-11-17-10-9-14-13-18-16-8-6-5-7-15(14)16/h5-8,13,17-18H,3-4,9-12H2,1-2H3
InChIKeyGRYGCNBKKNUJBK-UHFFFAOYSA-N
XLogP2.64
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(diethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110996298
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine
CID 168947075
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine
CID 162773405
1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine
CID 83960679
(E)-but-2-enedioic acid;bis(N-ethyl-2-(1H-indol-3-yl)ethanamine)
CID 172871952
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine
CID 169026501
2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81411810

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine (CID 82089991) is N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine is CCN(CC)CCNCCc1c[nH]c2ccccc12.
What is the InChIKey of N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine?
The InChIKey is GRYGCNBKKNUJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-19(4-2)12-11-17-10-9-14-13-18-16-8-6-5-7-15(14)16/h5-8,13,17-18H,3-4,9-12H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine has a molecular weight of 259.40 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 82089991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).