4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine

C26H58N4 — CID 173309647

IUPAC4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine
SMILESCCN(CC)CCCC(CCN(C)C)C(CCCCCCN(C)C)CCCN(C)C
InChIInChI=1S/C26H58N4/c1-9-30(10-2)23-16-19-26(20-24-29(7)8)25(18-15-22-28(5)6)17-13-11-12-14-21-27(3)4/h25-26H,9-24H2,1-8H3
InChIKeyJCPVAKLMIXLMRG-UHFFFAOYSA-N
MW426.78 g/mol
LogP5.15
Rot. Bonds21

About 4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine

4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine (PubChem CID 173309647) has the molecular formula C26H58N4 and a molecular weight of 426.78 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine
PubChem CID173309647
Molecular FormulaC26H58N4
Molecular Weight426.78 g/mol
Exact Mass426.47
IUPAC Name4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine
SMILESCCN(CC)CCCC(CCN(C)C)C(CCCCCCN(C)C)CCCN(C)C
InChIInChI=1S/C26H58N4/c1-9-30(10-2)23-16-19-26(20-24-29(7)8)25(18-15-22-28(5)6)17-13-11-12-14-21-27(3)4/h25-26H,9-24H2,1-8H3
InChIKeyJCPVAKLMIXLMRG-UHFFFAOYSA-N
XLogP5.15
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.78
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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7-(diethylamino)heptan-2-ol
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CID 86612309
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CID 88608998
N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953
4-ethyl-N,N,5-trimethylhexan-1-amine
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CID 173055097

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine (CID 173309647) is 4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine is CCN(CC)CCCC(CCN(C)C)C(CCCCCCN(C)C)CCCN(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine?
The InChIKey is JCPVAKLMIXLMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58N4/c1-9-30(10-2)23-16-19-26(20-24-29(7)8)25(18-15-22-28(5)6)17-13-11-12-14-21-27(3)4/h25-26H,9-24H2,1-8H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine?
4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine has a molecular weight of 426.78 g/mol, XLogP of 5.15, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine is sourced from PubChem (CID 173309647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).