(1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine

C16H30N4Si — CID 58634914

IUPAC(1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine
SMILESCN(C)[C@H]1CC([Si](C)(C)N2CNCNC2)C2C=CC=CC21
InChIInChI=1S/C16H30N4Si/c1-19(2)15-9-16(14-8-6-5-7-13(14)15)21(3,4)20-11-17-10-18-12-20/h5-8,13-18H,9-12H2,1-4H3/t13?,14?,15-,16?/m0/s1
InChIKeyGIHQBWVCULQTEL-UFFJXHMVSA-N
MW306.53 g/mol
LogP1.62
Rot. Bonds3

About (1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine

(1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine (PubChem CID 58634914) has the molecular formula C16H30N4Si and a molecular weight of 306.53 g/mol. Its IUPAC name is (1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine
PubChem CID58634914
Molecular FormulaC16H30N4Si
Molecular Weight306.53 g/mol
Exact Mass306.22
IUPAC Name(1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine
SMILESCN(C)[C@H]1CC([Si](C)(C)N2CNCNC2)C2C=CC=CC21
InChIInChI=1S/C16H30N4Si/c1-19(2)15-9-16(14-8-6-5-7-13(14)15)21(3,4)20-11-17-10-18-12-20/h5-8,13-18H,9-12H2,1-4H3/t13?,14?,15-,16?/m0/s1
InChIKeyGIHQBWVCULQTEL-UFFJXHMVSA-N
XLogP1.62
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.53
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane
CID 58634910
dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane
CID 76843825
carbanide;dichlorotitanium;(1S)-3-[dimethyl(piperazin-4-id-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine
CID 58634731
(1S,3aS,7aR)-3-[dimethyl(phenazin-10-id-5-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine;carbanide;dichlorotitanium
CID 58634175
3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine
CID 162279171
(3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane
CID 76844244
dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 76843788
dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane
CID 76844178
trimethyl-(3-trimethylsilyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 123227996
carbanide;dichlorotitanium;dimethyl-[(3S)-3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane
CID 58634315
1-aza-3,5-diazanidacyclohex-1-yl-[(3S)-3-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorotitanium(4+)
CID 58634677
tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+)
CID 23232326

Frequently Asked Questions

What is the IUPAC name of (1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine?
The IUPAC name of (1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine (CID 58634914) is (1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine?
The canonical SMILES for (1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine is CN(C)[C@H]1CC([Si](C)(C)N2CNCNC2)C2C=CC=CC21.
What is the InChIKey of (1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine?
The InChIKey is GIHQBWVCULQTEL-UFFJXHMVSA-N. The full InChI is InChI=1S/C16H30N4Si/c1-19(2)15-9-16(14-8-6-5-7-13(14)15)21(3,4)20-11-17-10-18-12-20/h5-8,13-18H,9-12H2,1-4H3/t13?,14?,15-,16?/m0/s1.
What are the key properties of (1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine?
(1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine has a molecular weight of 306.53 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine is sourced from PubChem (CID 58634914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).