N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine

C29H65N3O3Si — CID 140647551

IUPACN,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine
SMILESCCCN(CC)CCCC(CCCN(CC)CCC)(CCCN(CC)CCC)C[Si](OC)(OC)OC
InChIInChI=1S/C29H65N3O3Si/c1-10-22-30(13-4)25-16-19-29(28-36(33-7,34-8)35-9,20-17-26-31(14-5)23-11-2)21-18-27-32(15-6)24-12-3/h10-28H2,1-9H3
InChIKeyHHXYYGKQKMXTBJ-UHFFFAOYSA-N
MW531.94 g/mol
LogP6.39
Rot. Bonds26

About N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine

N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine (PubChem CID 140647551) has the molecular formula C29H65N3O3Si and a molecular weight of 531.94 g/mol. Its IUPAC name is N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine.

Molecular Properties

Compound NameN,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine
PubChem CID140647551
Molecular FormulaC29H65N3O3Si
Molecular Weight531.94 g/mol
Exact Mass531.48
IUPAC NameN,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine
SMILESCCCN(CC)CCCC(CCCN(CC)CCC)(CCCN(CC)CCC)C[Si](OC)(OC)OC
InChIInChI=1S/C29H65N3O3Si/c1-10-22-30(13-4)25-16-19-29(28-36(33-7,34-8)35-9,20-17-26-31(14-5)23-11-2)21-18-27-32(15-6)24-12-3/h10-28H2,1-9H3
InChIKeyHHXYYGKQKMXTBJ-UHFFFAOYSA-N
XLogP6.39
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.94
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(dipropylamino)propyl]-4-[[methoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647719
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine
CID 140647245
N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine
CID 142718319
N,N'-diethyl-3-[[ethyl(dimethoxy)silyl]methyl]-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropylpentane-1,5-diamine
CID 142718352
N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine
CID 140647338
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine
CID 140647664
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine
CID 140647478
trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane
CID 18454140
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647738
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine?
The IUPAC name of N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine (CID 140647551) is N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine.
What is the SMILES notation for N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine?
The canonical SMILES for N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine is CCCN(CC)CCCC(CCCN(CC)CCC)(CCCN(CC)CCC)C[Si](OC)(OC)OC.
What is the InChIKey of N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine?
The InChIKey is HHXYYGKQKMXTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H65N3O3Si/c1-10-22-30(13-4)25-16-19-29(28-36(33-7,34-8)35-9,20-17-26-31(14-5)23-11-2)21-18-27-32(15-6)24-12-3/h10-28H2,1-9H3.
What are the key properties of N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine?
N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine has a molecular weight of 531.94 g/mol, XLogP of 6.39, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine is sourced from PubChem (CID 140647551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).