1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine

C20H41N3Si — CID 123392075

IUPAC1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine
SMILES[SiH3]CC(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C20H41N3Si/c24-16-20(21-17-10-4-1-5-11-17,22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h17-19,21-23H,1-16H2,24H3
InChIKeyRHXKEBZVRQMDRO-UHFFFAOYSA-N
MW351.66 g/mol
LogP3.19
Rot. Bonds7

About 1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine

1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine (PubChem CID 123392075) has the molecular formula C20H41N3Si and a molecular weight of 351.66 g/mol. Its IUPAC name is 1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine.

Molecular Properties

Compound Name1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine
PubChem CID123392075
Molecular FormulaC20H41N3Si
Molecular Weight351.66 g/mol
Exact Mass351.31
IUPAC Name1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine
SMILES[SiH3]CC(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C20H41N3Si/c24-16-20(21-17-10-4-1-5-11-17,22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h17-19,21-23H,1-16H2,24H3
InChIKeyRHXKEBZVRQMDRO-UHFFFAOYSA-N
XLogP3.19
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.66
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine with MolForge

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Related Compounds

1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine
CID 123823829
N-(2-fluoropropan-2-yl)cyclohexanamine
CID 145320025
N-(trichloromethyl)cyclohexanamine
CID 139668019
(cyclohexylamino)methanetriol
CID 87845323
4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine
CID 58707395
2-cyclohexyl-2-(cyclopentylamino)propan-1-ol
CID 64758710
N-cyclopropylcyclododecanamine
CID 16776852
N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine
CID 82937251
N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine
CID 43434257
N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine
CID 43434260
N-(2-cyclopropylpropan-2-yl)cyclopentanamine
CID 103923045
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine?
The IUPAC name of 1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine (CID 123392075) is 1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine.
What is the SMILES notation for 1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine?
The canonical SMILES for 1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine is [SiH3]CC(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine?
The InChIKey is RHXKEBZVRQMDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3Si/c24-16-20(21-17-10-4-1-5-11-17,22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h17-19,21-23H,1-16H2,24H3.
What are the key properties of 1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine?
1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine has a molecular weight of 351.66 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine is sourced from PubChem (CID 123392075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).