4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine

C21H49N5 — CID 141087039

IUPAC4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine
SMILESCCCCN(CCCC(NC)(N(C)C)N(CC)CC)N(CCC)CCC
InChIInChI=1S/C21H49N5/c1-9-14-19-26(25(17-10-2)18-11-3)20-15-16-21(22-6,23(7)8)24(12-4)13-5/h22H,9-20H2,1-8H3
InChIKeyKOQABJFPPYSMCV-UHFFFAOYSA-N
MW371.66 g/mol
LogP3.68
Rot. Bonds17

About 4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine

4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine (PubChem CID 141087039) has the molecular formula C21H49N5 and a molecular weight of 371.66 g/mol. Its IUPAC name is 4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine.

Molecular Properties

Compound Name4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine
PubChem CID141087039
Molecular FormulaC21H49N5
Molecular Weight371.66 g/mol
Exact Mass371.40
IUPAC Name4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine
SMILESCCCCN(CCCC(NC)(N(C)C)N(CC)CC)N(CCC)CCC
InChIInChI=1S/C21H49N5/c1-9-14-19-26(25(17-10-2)18-11-3)20-15-16-21(22-6,23(7)8)24(12-4)13-5/h22H,9-20H2,1-8H3
InChIKeyKOQABJFPPYSMCV-UHFFFAOYSA-N
XLogP3.68
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2-tetrabutylhydrazine;hydrate
CID 172702997
1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine
CID 71092197
N-butyl-N,4,4-trimethylpentan-1-amine
CID 58300817
N,N,5-tributylnonan-5-amine
CID 175088572
2-[[ethyl(methyl)amino]-methylamino]-N-methylpropan-2-amine
CID 129155610
1,1,2-triethyl-2-propylhydrazine
CID 54254142
1-N"-butyl-1-N,1-N,1-N',1-N'-tetraethyl-1-N"-silylethane-1,1,1-triamine
CID 173059218
N-butyl-N-ethenylpentan-1-amine
CID 154960223
N-(fluoromethyl)-N-methylbutan-1-amine
CID 126636484
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
CID 65296059
N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine
CID 154429867

Frequently Asked Questions

What is the IUPAC name of 4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine?
The IUPAC name of 4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine (CID 141087039) is 4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine.
What is the SMILES notation for 4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine?
The canonical SMILES for 4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine is CCCCN(CCCC(NC)(N(C)C)N(CC)CC)N(CCC)CCC.
What is the InChIKey of 4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine?
The InChIKey is KOQABJFPPYSMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H49N5/c1-9-14-19-26(25(17-10-2)18-11-3)20-15-16-21(22-6,23(7)8)24(12-4)13-5/h22H,9-20H2,1-8H3.
What are the key properties of 4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine?
4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine has a molecular weight of 371.66 g/mol, XLogP of 3.68, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine is sourced from PubChem (CID 141087039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).