1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine

C15H36N4Si — CID 123629170

IUPAC1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine
SMILESCC(C)NC1(N[SiH3])CCCCC1(NC(C)C)NC(C)C
InChIInChI=1S/C15H36N4Si/c1-11(2)16-14(17-12(3)4)9-7-8-10-15(14,19-20)18-13(5)6/h11-13,16-19H,7-10H2,1-6,20H3
InChIKeyGKHWLPGAWXAREU-UHFFFAOYSA-N
MW300.57 g/mol
LogP0.82
Rot. Bonds7

About 1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine

1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine (PubChem CID 123629170) has the molecular formula C15H36N4Si and a molecular weight of 300.57 g/mol. Its IUPAC name is 1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine.

Molecular Properties

Compound Name1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine
PubChem CID123629170
Molecular FormulaC15H36N4Si
Molecular Weight300.57 g/mol
Exact Mass300.27
IUPAC Name1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine
SMILESCC(C)NC1(N[SiH3])CCCCC1(NC(C)C)NC(C)C
InChIInChI=1S/C15H36N4Si/c1-11(2)16-14(17-12(3)4)9-7-8-10-15(14,19-20)18-13(5)6/h11-13,16-19H,7-10H2,1-6,20H3
InChIKeyGKHWLPGAWXAREU-UHFFFAOYSA-N
XLogP0.82
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.57
LogP ≤ 50.82
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine?
The IUPAC name of 1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine (CID 123629170) is 1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine.
What is the SMILES notation for 1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine?
The canonical SMILES for 1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine is CC(C)NC1(N[SiH3])CCCCC1(NC(C)C)NC(C)C.
What is the InChIKey of 1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine?
The InChIKey is GKHWLPGAWXAREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4Si/c1-11(2)16-14(17-12(3)4)9-7-8-10-15(14,19-20)18-13(5)6/h11-13,16-19H,7-10H2,1-6,20H3.
What are the key properties of 1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine?
1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine has a molecular weight of 300.57 g/mol, XLogP of 0.82, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',2-N-tri(propan-2-yl)-2-N'-silylcyclohexane-1,1,2,2-tetramine is sourced from PubChem (CID 123629170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).