(E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine

C39H77N5O3Si — CID 161494061

IUPAC(E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CCCCN(C)/C(=C/C1CCCCC1)NC1CCCCC1.CNCCC[Si](OC)(OC)OC
InChIInChI=1S/C19H36N2.C13H22N2.C7H19NO3Si/c1-3-4-15-21(2)19(16-17-11-7-5-8-12-17)20-18-13-9-6-10-14-18;1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-8-6-5-7-12(9-2,10-3)11-4/h16-18,20H,3-15H2,1-2H3;12-13H,1-10H2;8H,5-7H2,1-4H3/b19-16+;;
InChIKeyWFYWJLNCIUVFFK-JWZFBPJHSA-N
MW692.16 g/mol
LogP9.36
Rot. Bonds16

About (E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine

(E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine (PubChem CID 161494061) has the molecular formula C39H77N5O3Si and a molecular weight of 692.16 g/mol. Its IUPAC name is (E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Name(E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine
PubChem CID161494061
Molecular FormulaC39H77N5O3Si
Molecular Weight692.16 g/mol
Exact Mass691.58
IUPAC Name(E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CCCCN(C)/C(=C/C1CCCCC1)NC1CCCCC1.CNCCC[Si](OC)(OC)OC
InChIInChI=1S/C19H36N2.C13H22N2.C7H19NO3Si/c1-3-4-15-21(2)19(16-17-11-7-5-8-12-17)20-18-13-9-6-10-14-18;1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-8-6-5-7-12(9-2,10-3)11-4/h16-18,20H,3-15H2,1-2H3;12-13H,1-10H2;8H,5-7H2,1-4H3/b19-16+;;
InChIKeyWFYWJLNCIUVFFK-JWZFBPJHSA-N
XLogP9.36
TPSA79.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.16
LogP ≤ 59.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine?
The IUPAC name of (E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine (CID 161494061) is (E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for (E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine?
The canonical SMILES for (E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine is C(=NC1CCCCC1)=NC1CCCCC1.CCCCN(C)/C(=C/C1CCCCC1)NC1CCCCC1.CNCCC[Si](OC)(OC)OC.
What is the InChIKey of (E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine?
The InChIKey is WFYWJLNCIUVFFK-JWZFBPJHSA-N. The full InChI is InChI=1S/C19H36N2.C13H22N2.C7H19NO3Si/c1-3-4-15-21(2)19(16-17-11-7-5-8-12-17)20-18-13-9-6-10-14-18;1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-8-6-5-7-12(9-2,10-3)11-4/h16-18,20H,3-15H2,1-2H3;12-13H,1-10H2;8H,5-7H2,1-4H3/b19-16+;;.
What are the key properties of (E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine?
(E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine has a molecular weight of 692.16 g/mol, XLogP of 9.36, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 161494061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).