1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine

C16H25N3 — CID 83960679

IUPAC1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine
SMILESCCCCC(N)CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H25N3/c1-2-3-6-14(17)12-18-10-9-13-11-19-16-8-5-4-7-15(13)16/h4-5,7-8,11,14,18-19H,2-3,6,9-10,12,17H2,1H3
InChIKeyBUPOGUQDHIVKDX-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.82
Rot. Bonds8

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

1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine (PubChem CID 83960679) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine
PubChem CID83960679
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine
SMILESCCCCC(N)CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H25N3/c1-2-3-6-14(17)12-18-10-9-13-11-19-16-8-5-4-7-15(13)16/h4-5,7-8,11,14,18-19H,2-3,6,9-10,12,17H2,1H3
InChIKeyBUPOGUQDHIVKDX-UHFFFAOYSA-N
XLogP2.82
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896
3-heptyl-1H-indole
CID 15360907
N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17158293
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390
N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 82089991
benzyl N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxohexan-2-yl]carbamate
CID 178135953
N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine
CID 169026501
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 80697180
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
3-ethyl-1H-indole;methanamine
CID 142222050

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine?
The IUPAC name of 1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine (CID 83960679) is 1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine?
The canonical SMILES for 1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine is CCCCC(N)CNCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine?
The InChIKey is BUPOGUQDHIVKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-3-6-14(17)12-18-10-9-13-11-19-16-8-5-4-7-15(13)16/h4-5,7-8,11,14,18-19H,2-3,6,9-10,12,17H2,1H3.
What are the key properties of 1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine?
1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine has a molecular weight of 259.40 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine is sourced from PubChem (CID 83960679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).