N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine

C15H38N2O6Si2 — CID 140821445

IUPACN-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine
SMILESCCCCN(CCC)C(CN)([Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C15H38N2O6Si2/c1-9-11-13-17(12-10-2)15(14-16,24(18-3,19-4)20-5)25(21-6,22-7)23-8/h9-14,16H2,1-8H3
InChIKeyCBMHHCNDXPVVKT-UHFFFAOYSA-N
MW398.65 g/mol
LogP1.03
Rot. Bonds15

About N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine

N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine (PubChem CID 140821445) has the molecular formula C15H38N2O6Si2 and a molecular weight of 398.65 g/mol. Its IUPAC name is N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine
PubChem CID140821445
Molecular FormulaC15H38N2O6Si2
Molecular Weight398.65 g/mol
Exact Mass398.23
IUPAC NameN-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine
SMILESCCCCN(CCC)C(CN)([Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C15H38N2O6Si2/c1-9-11-13-17(12-10-2)15(14-16,24(18-3,19-4)20-5)25(21-6,22-7)23-8/h9-14,16H2,1-8H3
InChIKeyCBMHHCNDXPVVKT-UHFFFAOYSA-N
XLogP1.03
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.65
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine
CID 62007992
2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine
CID 114524991
2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
CID 114079873
N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine
CID 173044621
3,3-dimethoxy-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 66181214
3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
CID 62008603
2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine
CID 60710048
N-[(dipentylamino)-dimethoxysilyl]-N-pentylpentan-1-amine
CID 139816210
N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine
CID 162197438
2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine
CID 103033017
2-N,2-diethyl-2-N-pentylbutane-1,2-diamine
CID 62008795
trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane
CID 141102210

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine (CID 140821445) is N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine is CCCCN(CCC)C(CN)([Si](OC)(OC)OC)[Si](OC)(OC)OC.
What is the InChIKey of N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine?
The InChIKey is CBMHHCNDXPVVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H38N2O6Si2/c1-9-11-13-17(12-10-2)15(14-16,24(18-3,19-4)20-5)25(21-6,22-7)23-8/h9-14,16H2,1-8H3.
What are the key properties of N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine?
N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine has a molecular weight of 398.65 g/mol, XLogP of 1.03, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine is sourced from PubChem (CID 140821445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).