N-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine

C19H42N2O2 — CID 87094699

IUPACN-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine
SMILESCCCCN(CCCC)COCOCN(CCCC)CCCC
InChIInChI=1S/C19H42N2O2/c1-5-9-13-20(14-10-6-2)17-22-19-23-18-21(15-11-7-3)16-12-8-4/h5-19H2,1-4H3
InChIKeyWUMYTJKLIVKYST-UHFFFAOYSA-N
MW330.56 g/mol
LogP4.70
Rot. Bonds18

About N-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine

N-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine (PubChem CID 87094699) has the molecular formula C19H42N2O2 and a molecular weight of 330.56 g/mol. Its IUPAC name is N-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine
PubChem CID87094699
Molecular FormulaC19H42N2O2
Molecular Weight330.56 g/mol
Exact Mass330.32
IUPAC NameN-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine
SMILESCCCCN(CCCC)COCOCN(CCCC)CCCC
InChIInChI=1S/C19H42N2O2/c1-5-9-13-20(14-10-6-2)17-22-19-23-18-21(15-11-7-3)16-12-8-4/h5-19H2,1-4H3
InChIKeyWUMYTJKLIVKYST-UHFFFAOYSA-N
XLogP4.70
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine
CID 3614344
N-(methoxymethyl)-N-propylbutan-1-amine
CID 87396533
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
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'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N-(3-butoxypropyl)-N-butylbutan-1-amine
CID 152720768
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine?
The IUPAC name of N-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine (CID 87094699) is N-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine is CCCCN(CCCC)COCOCN(CCCC)CCCC.
What is the InChIKey of N-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine?
The InChIKey is WUMYTJKLIVKYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O2/c1-5-9-13-20(14-10-6-2)17-22-19-23-18-21(15-11-7-3)16-12-8-4/h5-19H2,1-4H3.
What are the key properties of N-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine?
N-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine has a molecular weight of 330.56 g/mol, XLogP of 4.70, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(dibutylamino)methoxymethoxymethyl]butan-1-amine is sourced from PubChem (CID 87094699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).