1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine

C14H20N2O2 — CID 70173345

IUPAC1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine
SMILESc1cc(NC2CCCO2)ccc1NC1CCCO1
InChIInChI=1S/C14H20N2O2/c1-3-13(17-9-1)15-11-5-7-12(8-6-11)16-14-4-2-10-18-14/h5-8,13-16H,1-4,9-10H2
InChIKeyWKDDJXXYBKKZKA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.78
Rot. Bonds4

About 1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine

1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine (PubChem CID 70173345) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine
PubChem CID70173345
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine
SMILESc1cc(NC2CCCO2)ccc1NC1CCCO1
InChIInChI=1S/C14H20N2O2/c1-3-13(17-9-1)15-11-5-7-12(8-6-11)16-14-4-2-10-18-14/h5-8,13-16H,1-4,9-10H2
InChIKeyWKDDJXXYBKKZKA-UHFFFAOYSA-N
XLogP2.78
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide
CID 168730220
N-(2-chlorophenyl)oxan-2-amine
CID 130014213
1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
CID 110706711
N-anthracen-9-yloxan-2-amine
CID 175382056
1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea
CID 110706706
4,5-dimethoxy-2-N-(oxolan-2-yl)benzene-1,2-diamine
CID 13000218
1-(4-cyanophenyl)-3-(oxolan-2-yl)urea
CID 110706796
2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one
CID 139843153
N-(methylideneamino)oxolan-2-amine
CID 163795352
N-(oxan-2-yl)benzamide
CID 3717262
1-(3-methylphenyl)-3-(oxolan-2-yl)urea
CID 110706685
N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine
CID 139376476

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine (CID 70173345) is 1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine is c1cc(NC2CCCO2)ccc1NC1CCCO1.
What is the InChIKey of 1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine?
The InChIKey is WKDDJXXYBKKZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-13(17-9-1)15-11-5-7-12(8-6-11)16-14-4-2-10-18-14/h5-8,13-16H,1-4,9-10H2.
What are the key properties of 1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine?
1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine has a molecular weight of 248.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 70173345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).