N'-butyl-N'-ethylpropane-1,3-diamine

C9H22N2 — CID 16768199

IUPACN'-butyl-N'-ethylpropane-1,3-diamine
SMILESCCCCN(CC)CCCN
InChIInChI=1S/C9H22N2/c1-3-5-8-11(4-2)9-6-7-10/h3-10H2,1-2H3
InChIKeySMIQOXAFNYRXHC-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.46
Rot. Bonds7

About N'-butyl-N'-ethylpropane-1,3-diamine

N'-butyl-N'-ethylpropane-1,3-diamine (PubChem CID 16768199) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N'-butyl-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N'-ethylpropane-1,3-diamine
PubChem CID16768199
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN'-butyl-N'-ethylpropane-1,3-diamine
SMILESCCCCN(CC)CCCN
InChIInChI=1S/C9H22N2/c1-3-5-8-11(4-2)9-6-7-10/h3-10H2,1-2H3
InChIKeySMIQOXAFNYRXHC-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N',N'-diethylpropane-1,3-diamine;docosane
CID 174486105
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine
CID 135177575
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
CID 20833349

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-ethylpropane-1,3-diamine?
The IUPAC name of N'-butyl-N'-ethylpropane-1,3-diamine (CID 16768199) is N'-butyl-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-butyl-N'-ethylpropane-1,3-diamine?
The canonical SMILES for N'-butyl-N'-ethylpropane-1,3-diamine is CCCCN(CC)CCCN.
What is the InChIKey of N'-butyl-N'-ethylpropane-1,3-diamine?
The InChIKey is SMIQOXAFNYRXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-3-5-8-11(4-2)9-6-7-10/h3-10H2,1-2H3.
What are the key properties of N'-butyl-N'-ethylpropane-1,3-diamine?
N'-butyl-N'-ethylpropane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 16768199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).