2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine

C18H40N4Si — CID 173001994

IUPAC2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine
SMILESCC(C)NC1CC2CCCCC2N([SiH3])C1(NC(C)C)NC(C)C
InChIInChI=1S/C18H40N4Si/c1-12(2)19-17-11-15-9-7-8-10-16(15)22(23)18(17,20-13(3)4)21-14(5)6/h12-17,19-21H,7-11H2,1-6,23H3
InChIKeyYVVBKGNVJQJOGE-UHFFFAOYSA-N
MW340.63 g/mol
LogP1.55
Rot. Bonds6

About 2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine

2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine (PubChem CID 173001994) has the molecular formula C18H40N4Si and a molecular weight of 340.63 g/mol. Its IUPAC name is 2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine.

Molecular Properties

Compound Name2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine
PubChem CID173001994
Molecular FormulaC18H40N4Si
Molecular Weight340.63 g/mol
Exact Mass340.30
IUPAC Name2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine
SMILESCC(C)NC1CC2CCCCC2N([SiH3])C1(NC(C)C)NC(C)C
InChIInChI=1S/C18H40N4Si/c1-12(2)19-17-11-15-9-7-8-10-16(15)22(23)18(17,20-13(3)4)21-14(5)6/h12-17,19-21H,7-11H2,1-6,23H3
InChIKeyYVVBKGNVJQJOGE-UHFFFAOYSA-N
XLogP1.55
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.63
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine?
The IUPAC name of 2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine (CID 173001994) is 2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine.
What is the SMILES notation for 2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine?
The canonical SMILES for 2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine is CC(C)NC1CC2CCCCC2N([SiH3])C1(NC(C)C)NC(C)C.
What is the InChIKey of 2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine?
The InChIKey is YVVBKGNVJQJOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N4Si/c1-12(2)19-17-11-15-9-7-8-10-16(15)22(23)18(17,20-13(3)4)21-14(5)6/h12-17,19-21H,7-11H2,1-6,23H3.
What are the key properties of 2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine?
2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine has a molecular weight of 340.63 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine is sourced from PubChem (CID 173001994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).