propane-1,3-diamine;bis(propan-2-ol)

C9H26N2O2 — CID 87899449

IUPACpropane-1,3-diamine;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.NCCCN
InChIInChI=1S/C3H10N2.2C3H8O/c4-2-1-3-5;2*1-3(2)4/h1-5H2;2*3-4H,1-2H3
InChIKeyYFWUXUOMAAWIRN-UHFFFAOYSA-N
MW194.32 g/mol
LogP0.07
Rot. Bonds2

About propane-1,3-diamine;bis(propan-2-ol)

propane-1,3-diamine;bis(propan-2-ol) (PubChem CID 87899449) has the molecular formula C9H26N2O2 and a molecular weight of 194.32 g/mol. Its IUPAC name is propane-1,3-diamine;bis(propan-2-ol).

Molecular Properties

Compound Namepropane-1,3-diamine;bis(propan-2-ol)
PubChem CID87899449
Molecular FormulaC9H26N2O2
Molecular Weight194.32 g/mol
Exact Mass194.20
IUPAC Namepropane-1,3-diamine;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.NCCCN
InChIInChI=1S/C3H10N2.2C3H8O/c4-2-1-3-5;2*1-3(2)4/h1-5H2;2*3-4H,1-2H3
InChIKeyYFWUXUOMAAWIRN-UHFFFAOYSA-N
XLogP0.07
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

butan-1-amine;propan-2-ol
CID 174667581
dodecan-1-amine;bis(propan-2-ol)
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tris(2-aminoethanol);propan-2-ol;titanium
CID 173415669
1-aminobutan-2-ol;propane-1,3-diamine
CID 159214940
1-(3-aminopropoxy)ethanol
CID 19915425
(3R)-7-amino-3-methylheptan-2-ol
CID 126613359
iron(3+);propane-1,3-diamine
CID 18953212
hydroxylamine;propan-2-ol
CID 22024851
CID 21315680
CID 21315680
1-[4-aminobutyl(1-hydroxyethyl)amino]ethanol
CID 57194430
butan-1-amine;propane-1,2,3-triol;hydrobromide
CID 174855809
aminomethyl-dihydroxy-methylphosphanium
CID 6395030

Frequently Asked Questions

What is the IUPAC name of propane-1,3-diamine;bis(propan-2-ol)?
The IUPAC name of propane-1,3-diamine;bis(propan-2-ol) (CID 87899449) is propane-1,3-diamine;bis(propan-2-ol).
What is the SMILES notation for propane-1,3-diamine;bis(propan-2-ol)?
The canonical SMILES for propane-1,3-diamine;bis(propan-2-ol) is CC(C)O.CC(C)O.NCCCN.
What is the InChIKey of propane-1,3-diamine;bis(propan-2-ol)?
The InChIKey is YFWUXUOMAAWIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.2C3H8O/c4-2-1-3-5;2*1-3(2)4/h1-5H2;2*3-4H,1-2H3.
What are the key properties of propane-1,3-diamine;bis(propan-2-ol)?
propane-1,3-diamine;bis(propan-2-ol) has a molecular weight of 194.32 g/mol, XLogP of 0.07, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,3-diamine;bis(propan-2-ol) is sourced from PubChem (CID 87899449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).