trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine

C16H28N2O3Si — CID 102179234

IUPACtrans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine
SMILESCO[Si](OC)(OC)c1ccc(CN[C@@H]2CCCC[C@H]2N)cc1
InChIInChI=1S/C16H28N2O3Si/c1-19-22(20-2,21-3)14-10-8-13(9-11-14)12-18-16-7-5-4-6-15(16)17/h8-11,15-16,18H,4-7,12,17H2,1-3H3/t15-,16-/m1/s1
InChIKeyONTLDLIFXIEXJV-HZPDHXFCSA-N
MW324.50 g/mol
LogP1.13
Rot. Bonds7

About trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine (PubChem CID 102179234) has the molecular formula C16H28N2O3Si and a molecular weight of 324.50 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine
PubChem CID102179234
Molecular FormulaC16H28N2O3Si
Molecular Weight324.50 g/mol
Exact Mass324.19
IUPAC Nametrans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine
SMILESCO[Si](OC)(OC)c1ccc(CN[C@@H]2CCCC[C@H]2N)cc1
InChIInChI=1S/C16H28N2O3Si/c1-19-22(20-2,21-3)14-10-8-13(9-11-14)12-18-16-7-5-4-6-15(16)17/h8-11,15-16,18H,4-7,12,17H2,1-3H3/t15-,16-/m1/s1
InChIKeyONTLDLIFXIEXJV-HZPDHXFCSA-N
XLogP1.13
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263
1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine
CID 115117343
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one
CID 69439256
methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
CID 167008714
2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
CID 115118100
1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine
CID 115117395
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine
CID 71644176
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine (CID 102179234) is trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine is CO[Si](OC)(OC)c1ccc(CN[C@@H]2CCCC[C@H]2N)cc1.
What is the InChIKey of trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is ONTLDLIFXIEXJV-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H28N2O3Si/c1-19-22(20-2,21-3)14-10-8-13(9-11-14)12-18-16-7-5-4-6-15(16)17/h8-11,15-16,18H,4-7,12,17H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine has a molecular weight of 324.50 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 102179234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).