N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine

C15H34N2 — CID 63503379

IUPACN',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCCCN(CCCC)CCNC(CC)CC
InChIInChI=1S/C15H34N2/c1-5-9-12-17(13-10-6-2)14-11-16-15(7-3)8-4/h15-16H,5-14H2,1-4H3
InChIKeyZMQSNHFRBVEJJZ-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.67
Rot. Bonds12

About N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine

N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine (PubChem CID 63503379) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine
PubChem CID63503379
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCCCN(CCCC)CCNC(CC)CC
InChIInChI=1S/C15H34N2/c1-5-9-12-17(13-10-6-2)14-11-16-15(7-3)8-4/h15-16H,5-14H2,1-4H3
InChIKeyZMQSNHFRBVEJJZ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine
CID 62555536
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine
CID 63946060
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 55089675
1-N-butyl-3-N-[2-[3-(dimethylamino)propyl-methylamino]ethyl]-1-N-methylpentane-1,3-diamine
CID 134400911
1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine
CID 62040138
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine (CID 63503379) is N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine is CCCCN(CCCC)CCNC(CC)CC.
What is the InChIKey of N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is ZMQSNHFRBVEJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-5-9-12-17(13-10-6-2)14-11-16-15(7-3)8-4/h15-16H,5-14H2,1-4H3.
What are the key properties of N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine?
N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.67, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 63503379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).