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

C12H28N2 — CID 54806933

IUPACN-butyl-N',N'-dipropylethane-1,2-diamine
SMILESCCCCNCCN(CCC)CCC
InChIInChI=1S/C12H28N2/c1-4-7-8-13-9-12-14(10-5-2)11-6-3/h13H,4-12H2,1-3H3
InChIKeyDBMRGWPZJYHXCH-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds10

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

N-butyl-N',N'-dipropylethane-1,2-diamine (PubChem CID 54806933) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N-butyl-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N',N'-dipropylethane-1,2-diamine
PubChem CID54806933
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN-butyl-N',N'-dipropylethane-1,2-diamine
SMILESCCCCNCCN(CCC)CCC
InChIInChI=1S/C12H28N2/c1-4-7-8-13-9-12-14(10-5-2)11-6-3/h13H,4-12H2,1-3H3
InChIKeyDBMRGWPZJYHXCH-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.50
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',N'-tridodecylethane-1,2-diamine
CID 166798413
N-(4-methylpentyl)-N',N'-dipropylethane-1,2-diamine
CID 62574119
N-(2-bromoethyl)-N',N'-dipropylethane-1,2-diamine
CID 46738413
N'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
N-ethyl-N',N'-dipropylpropane-1,3-diamine
CID 19755940
butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine
CID 160890057

Frequently Asked Questions

What is the IUPAC name of N-butyl-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of N-butyl-N',N'-dipropylethane-1,2-diamine (CID 54806933) is N-butyl-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for N-butyl-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for N-butyl-N',N'-dipropylethane-1,2-diamine is CCCCNCCN(CCC)CCC.
What is the InChIKey of N-butyl-N',N'-dipropylethane-1,2-diamine?
The InChIKey is DBMRGWPZJYHXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-4-7-8-13-9-12-14(10-5-2)11-6-3/h13H,4-12H2,1-3H3.
What are the key properties of N-butyl-N',N'-dipropylethane-1,2-diamine?
N-butyl-N',N'-dipropylethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N',N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 54806933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).