N'-(oxan-4-yl)-N'-propylpropane-1,3-diamine

C11H24N2O — CID 63936426

IUPACN'-(oxan-4-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)C1CCOCC1
InChIInChI=1S/C11H24N2O/c1-2-7-13(8-3-6-12)11-4-9-14-10-5-11/h11H,2-10,12H2,1H3
InChIKeySPUZWELTIIICMR-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.23
Rot. Bonds6

About N'-(oxan-4-yl)-N'-propylpropane-1,3-diamine

N'-(oxan-4-yl)-N'-propylpropane-1,3-diamine (PubChem CID 63936426) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-(oxan-4-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(oxan-4-yl)-N'-propylpropane-1,3-diamine
PubChem CID63936426
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-(oxan-4-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)C1CCOCC1
InChIInChI=1S/C11H24N2O/c1-2-7-13(8-3-6-12)11-4-9-14-10-5-11/h11H,2-10,12H2,1H3
InChIKeySPUZWELTIIICMR-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(oxan-4-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(oxan-4-yl)-N'-propylpropane-1,3-diamine (CID 63936426) is N'-(oxan-4-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(oxan-4-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(oxan-4-yl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)C1CCOCC1.
What is the InChIKey of N'-(oxan-4-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is SPUZWELTIIICMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-7-13(8-3-6-12)11-4-9-14-10-5-11/h11H,2-10,12H2,1H3.
What are the key properties of N'-(oxan-4-yl)-N'-propylpropane-1,3-diamine?
N'-(oxan-4-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxan-4-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 63936426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).