N',N'-dibutyl-N,N-diethylethane-1,2-diamine

C14H32N2 — CID 91548124

IUPACN',N'-dibutyl-N,N-diethylethane-1,2-diamine
SMILESCCCCN(CCCC)CCN(CC)CC
InChIInChI=1S/C14H32N2/c1-5-9-11-16(12-10-6-2)14-13-15(7-3)8-4/h5-14H2,1-4H3
InChIKeyZBYISUXJWNMPBU-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.23
Rot. Bonds11

About N',N'-dibutyl-N,N-diethylethane-1,2-diamine

N',N'-dibutyl-N,N-diethylethane-1,2-diamine (PubChem CID 91548124) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N',N'-dibutyl-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-N,N-diethylethane-1,2-diamine
PubChem CID91548124
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN',N'-dibutyl-N,N-diethylethane-1,2-diamine
SMILESCCCCN(CCCC)CCN(CC)CC
InChIInChI=1S/C14H32N2/c1-5-9-11-16(12-10-6-2)14-13-15(7-3)8-4/h5-14H2,1-4H3
InChIKeyZBYISUXJWNMPBU-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
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-propylbutan-1-amine;pentane
CID 143329949
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N,N-diethylethane-1,2-diamine?
The IUPAC name of N',N'-dibutyl-N,N-diethylethane-1,2-diamine (CID 91548124) is N',N'-dibutyl-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for N',N'-dibutyl-N,N-diethylethane-1,2-diamine?
The canonical SMILES for N',N'-dibutyl-N,N-diethylethane-1,2-diamine is CCCCN(CCCC)CCN(CC)CC.
What is the InChIKey of N',N'-dibutyl-N,N-diethylethane-1,2-diamine?
The InChIKey is ZBYISUXJWNMPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-9-11-16(12-10-6-2)14-13-15(7-3)8-4/h5-14H2,1-4H3.
What are the key properties of N',N'-dibutyl-N,N-diethylethane-1,2-diamine?
N',N'-dibutyl-N,N-diethylethane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.23, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 91548124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).