N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine

C18H41N3 — CID 164579535

IUPACN',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine
SMILESCCCCN(CCCC)CNCN(CCCC)CCCC
InChIInChI=1S/C18H41N3/c1-5-9-13-20(14-10-6-2)17-19-18-21(15-11-7-3)16-12-8-4/h19H,5-18H2,1-4H3
InChIKeyVQBBCTRYFCZXMH-UHFFFAOYSA-N
MW299.55 g/mol
LogP4.30
Rot. Bonds16

About N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine

N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine (PubChem CID 164579535) has the molecular formula C18H41N3 and a molecular weight of 299.55 g/mol. Its IUPAC name is N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine.

Molecular Properties

Compound NameN',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine
PubChem CID164579535
Molecular FormulaC18H41N3
Molecular Weight299.55 g/mol
Exact Mass299.33
IUPAC NameN',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine
SMILESCCCCN(CCCC)CNCN(CCCC)CCCC
InChIInChI=1S/C18H41N3/c1-5-9-13-20(14-10-6-2)17-19-18-21(15-11-7-3)16-12-8-4/h19H,5-18H2,1-4H3
InChIKeyVQBBCTRYFCZXMH-UHFFFAOYSA-N
XLogP4.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
N'-ethyl-N'-pentyl-N-propylmethanediamine
CID 123257477
N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 58312291
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N-butyl-N-undecyldodecan-1-amine
CID 168880724
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine?
The IUPAC name of N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine (CID 164579535) is N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine.
What is the SMILES notation for N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine?
The canonical SMILES for N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine is CCCCN(CCCC)CNCN(CCCC)CCCC.
What is the InChIKey of N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine?
The InChIKey is VQBBCTRYFCZXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N3/c1-5-9-13-20(14-10-6-2)17-19-18-21(15-11-7-3)16-12-8-4/h19H,5-18H2,1-4H3.
What are the key properties of N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine?
N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine has a molecular weight of 299.55 g/mol, XLogP of 4.30, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine is sourced from PubChem (CID 164579535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).