3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine

C13H20N2O — CID 63559160

IUPAC3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine
SMILESCCCN(c1cccc(N)c1)C1CCOC1
InChIInChI=1S/C13H20N2O/c1-2-7-15(13-6-8-16-10-13)12-5-3-4-11(14)9-12/h3-5,9,13H,2,6-8,10,14H2,1H3
InChIKeyCINAVLIBYVQCFI-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.27
Rot. Bonds4

About 3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine

3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine (PubChem CID 63559160) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine
PubChem CID63559160
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine
SMILESCCCN(c1cccc(N)c1)C1CCOC1
InChIInChI=1S/C13H20N2O/c1-2-7-15(13-6-8-16-10-13)12-5-3-4-11(14)9-12/h3-5,9,13H,2,6-8,10,14H2,1H3
InChIKeyCINAVLIBYVQCFI-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-(5-oxaspiro[3.5]nonan-8-yl)-3-N-propylbenzene-1,3-diamine
CID 79894679
3-N-(4-ethylcyclohexyl)-3-N-propylbenzene-1,3-diamine
CID 64748721
N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine
CID 63559150
N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine
CID 63557163
3-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-N-propylbenzene-1,3-diamine
CID 79898753
3-N-methyl-3-N-(oxan-3-yl)benzene-1,3-diamine
CID 107135022
N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine
CID 107135006
3-(3-amino-N-ethylanilino)oxolan-2-one
CID 63230108
N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine
CID 63558781
3-N-methyl-3-N-[2-(oxan-4-yl)ethyl]benzene-1,3-diamine
CID 117041035
1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82741380
2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine
CID 63937656

Frequently Asked Questions

What is the IUPAC name of 3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine?
The IUPAC name of 3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine (CID 63559160) is 3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine is CCCN(c1cccc(N)c1)C1CCOC1.
What is the InChIKey of 3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine?
The InChIKey is CINAVLIBYVQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-7-15(13-6-8-16-10-13)12-5-3-4-11(14)9-12/h3-5,9,13H,2,6-8,10,14H2,1H3.
What are the key properties of 3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine?
3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine is sourced from PubChem (CID 63559160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).