N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid

C21H29NO3S — CID 15295732

IUPACN-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid
SMILESCC(C)(C)NC1CC(c2ccccc2)(c2ccccc2)C1.CS(=O)(=O)O
InChIInChI=1S/C20H25N.CH4O3S/c1-19(2,3)21-18-14-20(15-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-5(2,3)4/h4-13,18,21H,14-15H2,1-3H3;1H3,(H,2,3,4)
InChIKeyMQSNNYIUHRXYCS-UHFFFAOYSA-N
MW375.53 g/mol
LogP4.03
Rot. Bonds3

About N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid

N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid (PubChem CID 15295732) has the molecular formula C21H29NO3S and a molecular weight of 375.53 g/mol. Its IUPAC name is N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid.

Molecular Properties

Compound NameN-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid
PubChem CID15295732
Molecular FormulaC21H29NO3S
Molecular Weight375.53 g/mol
Exact Mass375.19
IUPAC NameN-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid
SMILESCC(C)(C)NC1CC(c2ccccc2)(c2ccccc2)C1.CS(=O)(=O)O
InChIInChI=1S/C20H25N.CH4O3S/c1-19(2,3)21-18-14-20(15-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-5(2,3)4/h4-13,18,21H,14-15H2,1-3H3;1H3,(H,2,3,4)
InChIKeyMQSNNYIUHRXYCS-UHFFFAOYSA-N
XLogP4.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid?
The IUPAC name of N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid (CID 15295732) is N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid.
What is the SMILES notation for N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid?
The canonical SMILES for N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid is CC(C)(C)NC1CC(c2ccccc2)(c2ccccc2)C1.CS(=O)(=O)O.
What is the InChIKey of N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid?
The InChIKey is MQSNNYIUHRXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N.CH4O3S/c1-19(2,3)21-18-14-20(15-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-5(2,3)4/h4-13,18,21H,14-15H2,1-3H3;1H3,(H,2,3,4).
What are the key properties of N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid?
N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid has a molecular weight of 375.53 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid is sourced from PubChem (CID 15295732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).