6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione

C17H24N4O2 — CID 171034309

IUPAC6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione
SMILESCC(C)N1C(=O)NC(N[C@@H](C)c2ccc3c(c2)CCC3)NC1=O
InChIInChI=1S/C17H24N4O2/c1-10(2)21-16(22)19-15(20-17(21)23)18-11(3)13-8-7-12-5-4-6-14(12)9-13/h7-11,15,18H,4-6H2,1-3H3,(H,19,22)(H,20,23)/t11-/m0/s1
InChIKeyAIWIQVYIIIJYSJ-NSHDSACASA-N
MW316.41 g/mol
LogP2.25
Rot. Bonds4

About 6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione

6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione (PubChem CID 171034309) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione
PubChem CID171034309
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione
SMILESCC(C)N1C(=O)NC(N[C@@H](C)c2ccc3c(c2)CCC3)NC1=O
InChIInChI=1S/C17H24N4O2/c1-10(2)21-16(22)19-15(20-17(21)23)18-11(3)13-8-7-12-5-4-6-14(12)9-13/h7-11,15,18H,4-6H2,1-3H3,(H,19,22)(H,20,23)/t11-/m0/s1
InChIKeyAIWIQVYIIIJYSJ-NSHDSACASA-N
XLogP2.25
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione with MolForge

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Related Compounds

3-(9H-fluoren-9-yl)-1,1-dimethylurea
CID 950587
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
CID 127044930
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
CID 127044931
1-(2,5-dimethylbenzyl)tetrahydropyrimidin-2(1H)-one
CID 3239361
2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 4072352
N-(2,3-dihydro-1H-inden-2-yl)-4-isopropylpiperazine-1-carboxamide
CID 44418559
N-(2,3-dihydro-1H-inden-2-yl)-4-ethylpiperazine-1-carboxamide
CID 44418565
US20240010639, Example 6
CID 171034306
US20240010639, Example 13
CID 171034313
N-9H-fluoren-9-yl-1-piperidinecarboxamide
CID 1121624
1-[2-(4-Indan-1-yl-piperazin-1-yl)-ethyl]-imidazolidin-2-one
CID 14208336
N-cyclopentyl-N'-[1-(3-isopropenylphenyl)-1-methylethyl]urea
CID 753414

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione (CID 171034309) is 6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione is CC(C)N1C(=O)NC(N[C@@H](C)c2ccc3c(c2)CCC3)NC1=O.
What is the InChIKey of 6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
The InChIKey is AIWIQVYIIIJYSJ-NSHDSACASA-N. The full InChI is InChI=1S/C17H24N4O2/c1-10(2)21-16(22)19-15(20-17(21)23)18-11(3)13-8-7-12-5-4-6-14(12)9-13/h7-11,15,18H,4-6H2,1-3H3,(H,19,22)(H,20,23)/t11-/m0/s1.
What are the key properties of 6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione has a molecular weight of 316.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 171034309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).