4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine

C35H77N3OSi — CID 140647594

IUPAC4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
SMILESCCCN(CCC)CCCC(CCCN(CCC)CCC)(CCCN(CCC)CCC)CC[Si](C)(CC)OCC
InChIInChI=1S/C35H77N3OSi/c1-10-25-36(26-11-2)31-18-21-35(24-34-40(9,17-8)39-16-7,22-19-32-37(27-12-3)28-13-4)23-20-33-38(29-14-5)30-15-6/h10-34H2,1-9H3
InChIKeyGMKRKSPPUTZDRJ-UHFFFAOYSA-N
MW584.11 g/mol
LogP9.70
Rot. Bonds30

About 4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine

4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine (PubChem CID 140647594) has the molecular formula C35H77N3OSi and a molecular weight of 584.11 g/mol. Its IUPAC name is 4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine.

Molecular Properties

Compound Name4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
PubChem CID140647594
Molecular FormulaC35H77N3OSi
Molecular Weight584.11 g/mol
Exact Mass583.58
IUPAC Name4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
SMILESCCCN(CCC)CCCC(CCCN(CCC)CCC)(CCCN(CCC)CCC)CC[Si](C)(CC)OCC
InChIInChI=1S/C35H77N3OSi/c1-10-25-36(26-11-2)31-18-21-35(24-34-40(9,17-8)39-16-7,22-19-32-37(27-12-3)28-13-4)23-20-33-38(29-14-5)30-15-6/h10-34H2,1-9H3
InChIKeyGMKRKSPPUTZDRJ-UHFFFAOYSA-N
XLogP9.70
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.11
LogP ≤ 59.70
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-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine
CID 140647654
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
3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
CID 142718234
4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine
CID 140647582
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
4-[3-(dipropylamino)propyl]-4-[[methoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647719
4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine
CID 140647565
N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
CID 142718377
3-[2-[ethoxy(dimethyl)silyl]ethyl]-N,N'-dimethyl-3-[2-[methyl(propyl)amino]ethyl]-N,N'-dipropylpentane-1,5-diamine
CID 142718241
3-[2-(dipropylamino)ethyl]-3-[2-[methoxy(dimethyl)silyl]ethyl]-N,N,N',N'-tetrapropylpentane-1,5-diamine
CID 142718275

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine?
The IUPAC name of 4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine (CID 140647594) is 4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine.
What is the SMILES notation for 4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine?
The canonical SMILES for 4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine is CCCN(CCC)CCCC(CCCN(CCC)CCC)(CCCN(CCC)CCC)CC[Si](C)(CC)OCC.
What is the InChIKey of 4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine?
The InChIKey is GMKRKSPPUTZDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H77N3OSi/c1-10-25-36(26-11-2)31-18-21-35(24-34-40(9,17-8)39-16-7,22-19-32-37(27-12-3)28-13-4)23-20-33-38(29-14-5)30-15-6/h10-34H2,1-9H3.
What are the key properties of 4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine?
4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine has a molecular weight of 584.11 g/mol, XLogP of 9.70, 30 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine is sourced from PubChem (CID 140647594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).