trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine

C38H68N4Si2 — CID 164672685

IUPACtrans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine
SMILESCC(C)[Si](c1ccc(CN(C)[C@H]2CCCC[C@@H]2N(C)Cc2ccc([Si](C(C)C)(C(C)C)C(C)C)cn2)nc1)(C(C)C)C(C)C
InChIInChI=1S/C38H68N4Si2/c1-27(2)43(28(3)4,29(5)6)35-21-19-33(39-23-35)25-41(13)37-17-15-16-18-38(37)42(14)26-34-20-22-36(24-40-34)44(30(7)8,31(9)10)32(11)12/h19-24,27-32,37-38H,15-18,25-26H2,1-14H3/t37-,38-/m0/s1
InChIKeyBNEWEWPEYWJAPZ-UWXQCODUSA-N
MW637.16 g/mol
LogP9.12
Rot. Bonds14

About trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine

trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine (PubChem CID 164672685) has the molecular formula C38H68N4Si2 and a molecular weight of 637.16 g/mol. Its IUPAC name is trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine
PubChem CID164672685
Molecular FormulaC38H68N4Si2
Molecular Weight637.16 g/mol
Exact Mass636.50
IUPAC Nametrans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine
SMILESCC(C)[Si](c1ccc(CN(C)[C@H]2CCCC[C@@H]2N(C)Cc2ccc([Si](C(C)C)(C(C)C)C(C)C)cn2)nc1)(C(C)C)C(C)C
InChIInChI=1S/C38H68N4Si2/c1-27(2)43(28(3)4,29(5)6)35-21-19-33(39-23-35)25-41(13)37-17-15-16-18-38(37)42(14)26-34-20-22-36(24-40-34)44(30(7)8,31(9)10)32(11)12/h19-24,27-32,37-38H,15-18,25-26H2,1-14H3/t37-,38-/m0/s1
InChIKeyBNEWEWPEYWJAPZ-UWXQCODUSA-N
XLogP9.12
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.16
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine with MolForge

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 115641197
1-N,2-N-bis[[(1R,9R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]methyl]-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 162405664
5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazin-2-amine
CID 103056084
trans-(1R,2R)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 98775343
cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 96519508
N-[(6-chloro-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 79046170
6-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]pyridin-3-ol
CID 82983854
1-N-benzyl-1-N,2-N-dimethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 170668939
[6-[[5-[dimethyl(propan-2-yl)silyl]-2-pyridinyl]methyl]-3-pyridinyl]-dimethyl-propan-2-ylsilane
CID 139805763
zinc;(1S,2S)-1,2-diphenylethane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 139090116
6-[[cyclohexylmethyl(methyl)amino]methyl]pyridin-3-ol
CID 82985897
N-methyl-5-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazin-2-amine
CID 103056756

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine (CID 164672685) is trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine is CC(C)[Si](c1ccc(CN(C)[C@H]2CCCC[C@@H]2N(C)Cc2ccc([Si](C(C)C)(C(C)C)C(C)C)cn2)nc1)(C(C)C)C(C)C.
What is the InChIKey of trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine?
The InChIKey is BNEWEWPEYWJAPZ-UWXQCODUSA-N. The full InChI is InChI=1S/C38H68N4Si2/c1-27(2)43(28(3)4,29(5)6)35-21-19-33(39-23-35)25-41(13)37-17-15-16-18-38(37)42(14)26-34-20-22-36(24-40-34)44(30(7)8,31(9)10)32(11)12/h19-24,27-32,37-38H,15-18,25-26H2,1-14H3/t37-,38-/m0/s1.
What are the key properties of trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine?
trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine has a molecular weight of 637.16 g/mol, XLogP of 9.12, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 164672685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).