N-butyl-N',N'-dimethylethane-1,2-diamine

C8H20N2 — CID 16781457

IUPACN-butyl-N',N'-dimethylethane-1,2-diamine
SMILESCCCCNCCN(C)C
InChIInChI=1S/C8H20N2/c1-4-5-6-9-7-8-10(2)3/h9H,4-8H2,1-3H3
InChIKeyCIIXPUZIJPZIOO-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.94
Rot. Bonds6

About N-butyl-N',N'-dimethylethane-1,2-diamine

N-butyl-N',N'-dimethylethane-1,2-diamine (PubChem CID 16781457) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is N-butyl-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N',N'-dimethylethane-1,2-diamine
PubChem CID16781457
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC NameN-butyl-N',N'-dimethylethane-1,2-diamine
SMILESCCCCNCCN(C)C
InChIInChI=1S/C8H20N2/c1-4-5-6-9-7-8-10(2)3/h9H,4-8H2,1-3H3
InChIKeyCIIXPUZIJPZIOO-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine
CID 174256295
N-butyl-N'-[2-(butylamino)ethyl-methylamino]sulfanyl-N'-methylethane-1,2-diamine
CID 148550296
N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
CID 62560197
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine
CID 62584513
N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725666

Frequently Asked Questions

What is the IUPAC name of N-butyl-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-butyl-N',N'-dimethylethane-1,2-diamine (CID 16781457) is N-butyl-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-butyl-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-butyl-N',N'-dimethylethane-1,2-diamine is CCCCNCCN(C)C.
What is the InChIKey of N-butyl-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CIIXPUZIJPZIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-5-6-9-7-8-10(2)3/h9H,4-8H2,1-3H3.
What are the key properties of N-butyl-N',N'-dimethylethane-1,2-diamine?
N-butyl-N',N'-dimethylethane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 16781457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).