1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine

C19H28N6 — CID 102124658

IUPAC1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine
SMILESCCCC(NCCc1c[nH]c2ccccc12)c1nnnn1C(C)(C)C
InChIInChI=1S/C19H28N6/c1-5-8-17(18-22-23-24-25(18)19(2,3)4)20-12-11-14-13-21-16-10-7-6-9-15(14)16/h6-7,9-10,13,17,20-21H,5,8,11-12H2,1-4H3
InChIKeyUKOCVTXKXFDHEV-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.58
Rot. Bonds7

About 1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine

1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine (PubChem CID 102124658) has the molecular formula C19H28N6 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine
PubChem CID102124658
Molecular FormulaC19H28N6
Molecular Weight340.47 g/mol
Exact Mass340.24
IUPAC Name1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine
SMILESCCCC(NCCc1c[nH]c2ccccc12)c1nnnn1C(C)(C)C
InChIInChI=1S/C19H28N6/c1-5-8-17(18-22-23-24-25(18)19(2,3)4)20-12-11-14-13-21-16-10-7-6-9-15(14)16/h6-7,9-10,13,17,20-21H,5,8,11-12H2,1-4H3
InChIKeyUKOCVTXKXFDHEV-UHFFFAOYSA-N
XLogP3.58
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
CID 43202427
2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline
CID 97181242
1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine
CID 83960679
2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one
CID 47807847
CID 176716293
CID 176716293
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542
N-benzhydryl-2-(1H-indol-3-yl)ethanamine
CID 101231581
[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate
CID 178136031
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 86812869
3-(1-tert-butyltetrazol-5-yl)-2-[2-(1H-indol-3-yl)ethyl]-3H-isoindol-1-one
CID 53301699
2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
CID 54050405

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine?
The IUPAC name of 1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine (CID 102124658) is 1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine.
What is the SMILES notation for 1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine?
The canonical SMILES for 1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine is CCCC(NCCc1c[nH]c2ccccc12)c1nnnn1C(C)(C)C.
What is the InChIKey of 1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine?
The InChIKey is UKOCVTXKXFDHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-5-8-17(18-22-23-24-25(18)19(2,3)4)20-12-11-14-13-21-16-10-7-6-9-15(14)16/h6-7,9-10,13,17,20-21H,5,8,11-12H2,1-4H3.
What are the key properties of 1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine?
1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine has a molecular weight of 340.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine is sourced from PubChem (CID 102124658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).