N',N'-dibutylpropane-1,3-diamine;ethane

C13H32N2 — CID 170746351

IUPACN',N'-dibutylpropane-1,3-diamine;ethane
SMILESCC.CCCCN(CCCC)CCCN
InChIInChI=1S/C11H26N2.C2H6/c1-3-5-9-13(10-6-4-2)11-7-8-12;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyLQYOLUAVWHEQFB-UHFFFAOYSA-N
MW216.41 g/mol
LogP3.26
Rot. Bonds9

About N',N'-dibutylpropane-1,3-diamine;ethane

N',N'-dibutylpropane-1,3-diamine;ethane (PubChem CID 170746351) has the molecular formula C13H32N2 and a molecular weight of 216.41 g/mol. Its IUPAC name is N',N'-dibutylpropane-1,3-diamine;ethane.

Molecular Properties

Compound NameN',N'-dibutylpropane-1,3-diamine;ethane
PubChem CID170746351
Molecular FormulaC13H32N2
Molecular Weight216.41 g/mol
Exact Mass216.26
IUPAC NameN',N'-dibutylpropane-1,3-diamine;ethane
SMILESCC.CCCCN(CCCC)CCCN
InChIInChI=1S/C11H26N2.C2H6/c1-3-5-9-13(10-6-4-2)11-7-8-12;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyLQYOLUAVWHEQFB-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N',N'-di(nonyl)pentane-1,5-diamine
CID 142498859
N'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874
N,N-didodecyldodecan-1-amine;dodecan-1-amine
CID 161417481
N',N'-diethylpropane-1,3-diamine;docosane
CID 174486105
butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine
CID 160890057
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutylpropane-1,3-diamine;ethane?
The IUPAC name of N',N'-dibutylpropane-1,3-diamine;ethane (CID 170746351) is N',N'-dibutylpropane-1,3-diamine;ethane.
What is the SMILES notation for N',N'-dibutylpropane-1,3-diamine;ethane?
The canonical SMILES for N',N'-dibutylpropane-1,3-diamine;ethane is CC.CCCCN(CCCC)CCCN.
What is the InChIKey of N',N'-dibutylpropane-1,3-diamine;ethane?
The InChIKey is LQYOLUAVWHEQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2.C2H6/c1-3-5-9-13(10-6-4-2)11-7-8-12;1-2/h3-12H2,1-2H3;1-2H3.
What are the key properties of N',N'-dibutylpropane-1,3-diamine;ethane?
N',N'-dibutylpropane-1,3-diamine;ethane has a molecular weight of 216.41 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutylpropane-1,3-diamine;ethane is sourced from PubChem (CID 170746351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).