5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide

C16H21N3O — CID 67517540

IUPAC5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide
SMILESCC(C)(C=CC(N)Cc1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C16H21N3O/c1-16(2,15(18)20)8-7-12(17)9-11-10-19-14-6-4-3-5-13(11)14/h3-8,10,12,19H,9,17H2,1-2H3,(H2,18,20)
InChIKeyQEZMWMWFULNZGU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.11
Rot. Bonds5

About 5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide

5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide (PubChem CID 67517540) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide.

Molecular Properties

Compound Name5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide
PubChem CID67517540
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide
SMILESCC(C)(C=CC(N)Cc1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C16H21N3O/c1-16(2,15(18)20)8-7-12(17)9-11-10-19-14-6-4-3-5-13(11)14/h3-8,10,12,19H,9,17H2,1-2H3,(H2,18,20)
InChIKeyQEZMWMWFULNZGU-UHFFFAOYSA-N
XLogP2.11
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide
CID 67517548
(E,5R)-5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide
CID 56956278
(E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide
CID 56967494
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794
5-amino-4-hydroxy-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enoic acid
CID 150021228
2-amino-3-(1H-indol-3-yl)propanal;methoxymethane
CID 144925786
acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 88778377
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
tert-butyl 2,3-diamino-4-(1H-indol-3-yl)butanoate
CID 150349077
(2S)-2-(1H-indol-3-ylmethyl)butanamide
CID 155450153
tert-butyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617478

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide?
The IUPAC name of 5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide (CID 67517540) is 5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide.
What is the SMILES notation for 5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide?
The canonical SMILES for 5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide is CC(C)(C=CC(N)Cc1c[nH]c2ccccc12)C(N)=O.
What is the InChIKey of 5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide?
The InChIKey is QEZMWMWFULNZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,15(18)20)8-7-12(17)9-11-10-19-14-6-4-3-5-13(11)14/h3-8,10,12,19H,9,17H2,1-2H3,(H2,18,20).
What are the key properties of 5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide?
5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide has a molecular weight of 271.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide is sourced from PubChem (CID 67517540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).