N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine

C26H59N3OSi — CID 140647654

IUPACN'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCCN(CCCN(CCC)CCC)CCC[Si](C)(CC)OCC
InChIInChI=1S/C26H59N3OSi/c1-8-17-27(18-9-2)21-14-23-29(24-15-22-28(19-10-3)20-11-4)25-16-26-31(7,13-6)30-12-5/h8-26H2,1-7H3
InChIKeyIMXQGWLQNQACDV-UHFFFAOYSA-N
MW457.86 g/mol
LogP6.33
Rot. Bonds23

About N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine

N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine (PubChem CID 140647654) has the molecular formula C26H59N3OSi and a molecular weight of 457.86 g/mol. Its IUPAC name is N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine
PubChem CID140647654
Molecular FormulaC26H59N3OSi
Molecular Weight457.86 g/mol
Exact Mass457.44
IUPAC NameN'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCCN(CCCN(CCC)CCC)CCC[Si](C)(CC)OCC
InChIInChI=1S/C26H59N3OSi/c1-8-17-27(18-9-2)21-14-23-29(24-15-22-28(19-10-3)20-11-4)25-16-26-31(7,13-6)30-12-5/h8-26H2,1-7H3
InChIKeyIMXQGWLQNQACDV-UHFFFAOYSA-N
XLogP6.33
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.86
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647444
N'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647243
4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647594
3-[ethoxy(dimethyl)silyl]-N,N-dipropylpropan-1-amine
CID 87204397
N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine
CID 140647743
diethoxy-[3-(ethoxy-ethyl-methylsilyl)propyl]-methylsilane
CID 58151778
N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647314
N'-[3-[diethoxy(ethyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647627
N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647449
N'-[3-(dimethylamino)propyl]-N'-[3-[ethoxy(diethyl)silyl]propyl]-N,N-dimethylpropane-1,3-diamine
CID 140647704
N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647738
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine
CID 140647406

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine?
The IUPAC name of N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine (CID 140647654) is N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine is CCCN(CCC)CCCN(CCCN(CCC)CCC)CCC[Si](C)(CC)OCC.
What is the InChIKey of N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine?
The InChIKey is IMXQGWLQNQACDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H59N3OSi/c1-8-17-27(18-9-2)21-14-23-29(24-15-22-28(19-10-3)20-11-4)25-16-26-31(7,13-6)30-12-5/h8-26H2,1-7H3.
What are the key properties of N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine?
N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine has a molecular weight of 457.86 g/mol, XLogP of 6.33, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine is sourced from PubChem (CID 140647654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).