trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine

C19H34N2Si — CID 132558806

IUPACtrans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine
SMILESCN(C)[C@@H]1CCCC[C@H]1N(C)C[Si](C)(C)Cc1ccccc1
InChIInChI=1S/C19H34N2Si/c1-20(2)18-13-9-10-14-19(18)21(3)16-22(4,5)15-17-11-7-6-8-12-17/h6-8,11-12,18-19H,9-10,13-16H2,1-5H3/t18-,19-/m1/s1
InChIKeyVHWZBPOHGMPQFH-RTBURBONSA-N
MW318.58 g/mol
LogP3.82
Rot. Bonds6

About trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine

trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine (PubChem CID 132558806) has the molecular formula C19H34N2Si and a molecular weight of 318.58 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine
PubChem CID132558806
Molecular FormulaC19H34N2Si
Molecular Weight318.58 g/mol
Exact Mass318.25
IUPAC Nametrans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine
SMILESCN(C)[C@@H]1CCCC[C@H]1N(C)C[Si](C)(C)Cc1ccccc1
InChIInChI=1S/C19H34N2Si/c1-20(2)18-13-9-10-14-19(18)21(3)16-22(4,5)15-17-11-7-6-8-12-17/h6-8,11-12,18-19H,9-10,13-16H2,1-5H3/t18-,19-/m1/s1
InChIKeyVHWZBPOHGMPQFH-RTBURBONSA-N
XLogP3.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.58
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-2-N-[(2S)-2-amino-3-phenylpropyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine
CID 102283859
2-N-benzyl-1-N,1-N-dimethylcycloheptane-1,2-diamine;dihydrochloride
CID 23349763
N,N-dimethyl-2-phenylcyclohexan-1-amine
CID 14946175
1-N-benzyl-1-N,2-N-dimethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 170668939
[2-(dimethylamino)cyclohexyl]-diphenylmethanol
CID 11971775
N-[benzyl-(dimethylamino)-methylsilyl]-N-methylmethanamine
CID 5246647
benzyl-dimethyl-(pyrrolidin-1-ylmethyl)silane
CID 19007226
trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 102294439
benzyl-[4-[benzyl(dimethyl)silyl]but-2-enyl]-dimethylsilane
CID 86114708
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane
CID 162297716
cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine
CID 158995956

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine (CID 132558806) is trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine is CN(C)[C@@H]1CCCC[C@H]1N(C)C[Si](C)(C)Cc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine?
The InChIKey is VHWZBPOHGMPQFH-RTBURBONSA-N. The full InChI is InChI=1S/C19H34N2Si/c1-20(2)18-13-9-10-14-19(18)21(3)16-22(4,5)15-17-11-7-6-8-12-17/h6-8,11-12,18-19H,9-10,13-16H2,1-5H3/t18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine has a molecular weight of 318.58 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 132558806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).