2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine

C14H20N2O — CID 83840943

IUPAC2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine
SMILESNc1ccccc1N(C1CCOCC1)C1CC1
InChIInChI=1S/C14H20N2O/c15-13-3-1-2-4-14(13)16(11-5-6-11)12-7-9-17-10-8-12/h1-4,11-12H,5-10,15H2
InChIKeyHATHYUKFTUYOAG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.42
Rot. Bonds3

About 2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine

2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine (PubChem CID 83840943) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine
PubChem CID83840943
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine
SMILESNc1ccccc1N(C1CCOCC1)C1CC1
InChIInChI=1S/C14H20N2O/c15-13-3-1-2-4-14(13)16(11-5-6-11)12-7-9-17-10-8-12/h1-4,11-12H,5-10,15H2
InChIKeyHATHYUKFTUYOAG-UHFFFAOYSA-N
XLogP2.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine (CID 83840943) is 2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine is Nc1ccccc1N(C1CCOCC1)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine?
The InChIKey is HATHYUKFTUYOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-13-3-1-2-4-14(13)16(11-5-6-11)12-7-9-17-10-8-12/h1-4,11-12H,5-10,15H2.
What are the key properties of 2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine?
2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 83840943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).