2,6-dicyclopropylaniline

C12H15N — CID 129249080

IUPAC2,6-dicyclopropylaniline
SMILESNc1c(C2CC2)cccc1C1CC1
InChIInChI=1S/C12H15N/c13-12-10(8-4-5-8)2-1-3-11(12)9-6-7-9/h1-3,8-9H,4-7,13H2
InChIKeyBTWJHXDDGRUVCN-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.02
Rot. Bonds2

About 2,6-dicyclopropylaniline

2,6-dicyclopropylaniline (PubChem CID 129249080) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,6-dicyclopropylaniline.

Molecular Properties

Compound Name2,6-dicyclopropylaniline
PubChem CID129249080
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2,6-dicyclopropylaniline
SMILESNc1c(C2CC2)cccc1C1CC1
InChIInChI=1S/C12H15N/c13-12-10(8-4-5-8)2-1-3-11(12)9-6-7-9/h1-3,8-9H,4-7,13H2
InChIKeyBTWJHXDDGRUVCN-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dicyclopropylaniline?
The IUPAC name of 2,6-dicyclopropylaniline (CID 129249080) is 2,6-dicyclopropylaniline.
What is the SMILES notation for 2,6-dicyclopropylaniline?
The canonical SMILES for 2,6-dicyclopropylaniline is Nc1c(C2CC2)cccc1C1CC1.
What is the InChIKey of 2,6-dicyclopropylaniline?
The InChIKey is BTWJHXDDGRUVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c13-12-10(8-4-5-8)2-1-3-11(12)9-6-7-9/h1-3,8-9H,4-7,13H2.
What are the key properties of 2,6-dicyclopropylaniline?
2,6-dicyclopropylaniline has a molecular weight of 173.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dicyclopropylaniline is sourced from PubChem (CID 129249080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).