aniline;cyclobutane

C10H15N — CID 174919664

IUPACaniline;cyclobutane
SMILESC1CCC1.Nc1ccccc1
InChIInChI=1S/C6H7N.C4H8/c7-6-4-2-1-3-5-6;1-2-4-3-1/h1-5H,7H2;1-4H2
InChIKeyRIPDUCYHUDFYQC-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.83
Rot. Bonds

About aniline;cyclobutane

aniline;cyclobutane (PubChem CID 174919664) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is aniline;cyclobutane.

Molecular Properties

Compound Nameaniline;cyclobutane
PubChem CID174919664
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Nameaniline;cyclobutane
SMILESC1CCC1.Nc1ccccc1
InChIInChI=1S/C6H7N.C4H8/c7-6-4-2-1-3-5-6;1-2-4-3-1/h1-5H,7H2;1-4H2
InChIKeyRIPDUCYHUDFYQC-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.83
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 aniline;cyclobutane?
The IUPAC name of aniline;cyclobutane (CID 174919664) is aniline;cyclobutane.
What is the SMILES notation for aniline;cyclobutane?
The canonical SMILES for aniline;cyclobutane is C1CCC1.Nc1ccccc1.
What is the InChIKey of aniline;cyclobutane?
The InChIKey is RIPDUCYHUDFYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C4H8/c7-6-4-2-1-3-5-6;1-2-4-3-1/h1-5H,7H2;1-4H2.
What are the key properties of aniline;cyclobutane?
aniline;cyclobutane has a molecular weight of 149.24 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;cyclobutane is sourced from PubChem (CID 174919664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).